bmse000223 4-Nitrophenol at BMRB

4-Nitrophenol

4-Nitrofenol [Dutch]; Paranitrofenol [Dutch]; Paranitrophenol; Phenol, 4-nitro-; p-Hydroxynitrobenzene; Paranitrophenol [French,German]; Paranitrofenolo [Italian]; 4-Hydroxynitrobenzene; 4-Nitrophenol; Niphen; p-Nitrophenol

Molecular Formula: C6 H5 N O3
Natural Isotopic Abundance Mass: 139.1088000000
Mono-Isotopic Molecular Masses: C12N14: 139.026943032; C13N14: 145.047072059; C12N15: 140.023977925; C13N15: 146.044106952

4-Nitrophenol

InCHi String:
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

isomeric and canonical SMILES:
C1=CC(=CC=C1[N+](=O)[O-])O

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
4-nitrophenol

PubChem Substance (SID):   85165034   150548   4127
PubChem Compound (CID):   980
KEGG: Compound ID   C00870
CAS Registry IDs:   100-02-7   22098-38-0   57936-22-8   64047-79-6   64047-80-9   64047-81-0   64047-82-1   64047-83-2   64070-86-6   824-78-2
PDB Chemical Component   NPO
Miscellaneous Databases and IDs:   CHEBI 16836   NSC 1317   CCRIS 2316   HSDB 1157   EINECS 202-811-7

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.