3'-Nitro-4'-tetradecyloxybiphenyl-4-carboxylic acid

HCID 20043522
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Basic information

Standard SMILES
CCCCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-]
InChIKey
GRRXSNBORKLZLI-UHFFFAOYSA-N
Molecular formula
C27H37NO5
Average molar mass
455.6 g/mol
Monoisotopic mass
455.26717328

Names & identifiers

Preferred name
3'-Nitro-4'-tetradecyloxybiphenyl-4-carboxylic acid
IUPAC
4-(3-nitro-4-tetradecoxyphenyl)benzoic acid

Names & synonyms

SCHEMBL9627241GRRXSNBORKLZLI-UHFFFAOYSA-N3'-nitro-4'-tetradecyloxybiphenyl-4-carboxylic acid

Database identifiers

PubChem CID
20043522
Nikkaji
J923.589B

Properties

Computed structural properties

XLogP
9.5
Topological polar surface area
92.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
16
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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