C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
CAS: 62-23-7
Nom: 4-nitrobenzoic acid
SMILES: C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H5NO4
Molecular weight
167.12
Exact mass
167.0219
XLogP
1.29
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.06

Supplementary Information

InChIKey: OTLNPYWUJOZPPA-UHFFFAOYSA-N
Synonymes
4-NITROBENZOIC ACIDp-Nitrobenzoic acid62-23-7Benzoic acid, 4-nitro-Nitrodracylic acid4-Nitrodracylic acid1-Carboxy-4-nitrobenzenep-Nitrobenzenecarboxylic acidBenzoic acid, p-nitro-p-Nitrodracylic acidDTXSID3020966para-nitrobenzoic acidG83NWR61OWNSC-7707DTXCID90966CHEBI:262350RefChem:100048200-526-2Kyselina p-nitrobenzoovaMFCD00007352NSC 77074-Nitro-benzoic acidCHEMBL101263CAS-62-23-74-Nitrobenzoicacidp-nitro benzoic acidCCRIS 1185HSDB 2140Kyselina p-nitrobenzoova [Czech]EINECS 200-526-2
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→