2-(4-Chlorophenyl)acetophenone - ≥98% , CAS No.6332-83-8

CAS: 6332-83-8 Cat. No.: C185698 분자식: C₁₄H₁₁ClO 분자량: 230.69

GRADE & PURITY ≥98%

Synonyms

Z217166118 | Acetophenone, 2-(p-chlorophenyl)- | HGIDMJOUQKOWMX-UHFFFAOYSA-N | 4'-Chlorodeoxybenzoin | EN300-25740 | A19003 | AG-670/02146009 | arachidonyl serotonin | EC-000.1832 | NSC38739 | OSU03012 | Pveneniferin | NSC 38739 | SCHEMBL571046 | 2-(p-Chl

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

Z217166118 | Acetophenone, 2-(p-chlorophenyl)- | HGIDMJOUQKOWMX-UHFFFAOYSA-N | 4'-Chlorodeoxybenzoin | EN300-25740 | A19003 | AG-670/02146009 | arachidonyl serotonin | EC-000.1832 | NSC38739 | OSU03012 | Pveneniferin | NSC 38739 | SCHEMBL571046 | 2-(p-Chl

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528755912
• 정식 스마일: C1=CC=C(C=C1)C(=O)CC2=CC=C(C=C2)Cl
• IUPAC Name: 2-(4-chlorophenyl)-1-phenylethanone
• InChIKey: HGIDMJOUQKOWMX-UHFFFAOYSA-N
• INCHI: 1S/C14H11ClO/c15-13-8-6-11(7-9-13)10-14(16)12-4-2-1-3-5-12/h1-9H,10H2
• 이성체 SMILES: C1=CC=C(C=C1)C(=O)CC2=CC=C(C=C2)Cl
• 분자량: 230.69
• Reaxy-Rn: 976346
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=976346&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: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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

관련 대상(인간)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 230.690 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 230.05 Da
• Monoisotopic Mass: 230.05 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1