3-Nitrofluorene - ≥98% , CAS No.5397-37-5

CAS: 5397-37-5 Cat. No.: N357591 分子式: C₁₃H₉NO₂ 分子量: 211.22

グレード＆純度 ≥98%

Synonyms

Fluorene, 3-nitro- | SCHEMBL7618863 | 3-05-00-01949 (Beilstein Handbook Reference) | 3-Nitrofluorene | 3-Nitro-9H-fluorene | FT-0672786 | 9H-Fluorene, 3-nitro- | BRN 2213592 | NSC 3016 | CCRIS 8628 | NSC3016 | NSC-3016 | CKAGNBSBBQJLCI-UHFFFAOYSA-N | DTXS

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Fluorene, 3-nitro- | SCHEMBL7618863 | 3-05-00-01949 (Beilstein Handbook Reference) | 3-Nitrofluorene | 3-Nitro-9H-fluorene | FT-0672786 | 9H-Fluorene, 3-nitro- | BRN 2213592 | NSC 3016 | CCRIS 8628 | NSC3016 | NSC-3016 | CKAGNBSBBQJLCI-UHFFFAOYSA-N | DTXS

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

カノニカル・スマイル

C1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31

IUPAC Name

3-nitro-9H-fluorene

InChIKey

CKAGNBSBBQJLCI-UHFFFAOYSA-N

INCHI

1S/C13H9NO2/c15-14(16)11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11/h1-6,8H,7H2

異性体SMILES

C1C2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CC=C31

分子量

211.22

Reaxy-Rn

2213592

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2213592&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Fluorenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Fluorenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Fluorene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
• 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

化学的性質と物理的性質

• 分子量: 211.220 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 211.063 Da
• Monoisotopic Mass: 211.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 286.000
• 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

よくある質問

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.