cis-4-Nitrostilbene - ≥97% , CAS No.6624-53-9

CAS: 6624-53-9 Cat. No.: C153462 분자식: C₁₄H₁₁NO₂ 분자량: 225.25

GRADE & PURITY ≥97%

Synonyms

(Z)-1-Nitro-4-styrylbenzene | AS-78166 | N1085 | p-Nitro-trans-stilbene | T72796 | BAA69420 | BDBM175266 | Trans-1-Nitro-4-styrylbenzene (5) | 4-Nitro-trans-stilbene | (Z)-4-Nitrostilbene | 4-nitro-cis-stilbene | cis-4-Nitrostilbene | NSC 53390 | 1-nitro-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

(Z)-1-Nitro-4-styrylbenzene | AS-78166 | N1085 | p-Nitro-trans-stilbene | T72796 | BAA69420 | BDBM175266 | Trans-1-Nitro-4-styrylbenzene (5) | 4-Nitro-trans-stilbene | (Z)-4-Nitrostilbene | 4-nitro-cis-stilbene | cis-4-Nitrostilbene | NSC 53390 | 1-nitro-

사양 및 순도

≥97%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

508817094

정식 스마일

C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-]

IUPAC Name

1-nitro-4-[(Z)-2-phenylethenyl]benzene

InChIKey

ZISCOWXWCHUSMH-SREVYHEPSA-N

INCHI

1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6-

이성체 SMILES

C1=CC=C(C=C1)/C=C\C2=CC=C(C=C2)[N+](=O)[O-]

분자량

225.25

Reaxy-Rn

2050497

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Nitrobenzenes Styrenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in Toluene
• 녹는점(°C): 63 °C
• 분자량: 225.240 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.079 Da
• Monoisotopic Mass: 225.079 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1