1-Hexyl -2 nitrocyclohexane

1-Hexyl -2 nitrocyclohexane
Compound Structure:
Synonyms: 1-Hexyl-2-nitrocyclohexane
Compound ID: NMPC-085
PubChem ID:

544017
Molecular Formula: C12H23NO2
Canonical SMILES: CCCCCCC1CCCCC1[N+](=O)[O-]
InChIKey: PUCQCSJZQDEHAI-UHFFFAOYSA-N
About the compound:

The molecule is based on a cyclohexane ring, which is a six-membered ring consisting of only carbon atoms. At the 2-position of this ring, there is a nitro (-NO2) functional group. At the 1-position, there is a hexyl group, which is a six-carbon aliphatic chain.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

213.32 g/mol

XLogP3-AA

4.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

5

Exact Mass

213.172878976 g/mol

Monoisotopic Mass

213.172878976 g/mol

Topological Polar Surface Area

45.8Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

189

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Strychnos innocua
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