4-Methoxy-3,5-dinitrobenzoic acid

HCID 291645

Basic information

CAS
85365-92-0
Standard SMILES
COc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]
InChIKey
VBLDFIFEVZSYAR-UHFFFAOYSA-N
Molecular formula
C8H6N2O7
Average molar mass
242.14 g/mol
Monoisotopic mass
242.01750053

Names & identifiers

Preferred name
4-Methoxy-3,5-dinitrobenzoic acid
IUPAC
4-methoxy-3,5-dinitrobenzoic acid

Names & synonyms

4-methoxy-3,5-dinitrobenzoic acid85365-92-0DTXSID70303151RefChem:293826DTXCID60254284VBLDFIFEVZSYAR-UHFFFAOYSA-N4-Methoxy-3,5-dinitro-benzoic acidbenzoic acid, 4-methoxy-3,5-dinitro-NSC1569842,6-dinitro-4-carboxyanisoleSCHEMBL52204343,5-Dinitro-4-methoxybenzoic acid
Show more names
BBL008031MFCD00772339SBB027141STK662280AKOS000428213NSC-156984VS-01792ST4148361

Database identifiers

CAS
85365-92-0
PubChem CID
291645
DTXSID
DTXSID70303151

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
138 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

LogP1.73

Related reactions

4 records

Compound notes

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