2'-Methoxy-3'-nitrobiphenyl-3-carboxylic acid

C₁₄H₁₁NO₅CAS 376591-94-5273.24 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Nitro

Properties

Molecular formula: C₁₄H₁₁NO₅
Molar mass: 273.24 g/mol
Exact mass: 273.0637 Da
logP: 2.97Crippen estimate
Polar surface area: 89.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

376591-94-5

SMILES

COC1=C(C=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)C(=O)O

InChIKey

AAPGMCIBKOSNAL-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO5/c1-20-13-11(6-3-7-12(13)15(18)19)9-4-2-5-10(8-9)14(16)17/h2-8H,1H3,(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2'-Methoxy-3'-nitro-biphenyl-3-carboxylic acid

Work with 2'-Methoxy-3'-nitrobiphenyl-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2′-Hydroxy-3′-nitro[1,1′-biphenyl]-3-carboxylic acid376591-95-668 % similar 2′-Methoxy[1,1′-biphenyl]-3-carboxylic acid168618-47-158 % similar 3-Methoxy-4-nitrobenzoic acid5081-36-757 % similar 4-Methoxy-3-nitrobenzoic acid89-41-857 % similar 2,6-Dimethoxy-3-nitrobenzoic acid55776-17-553 % similar 3'-Methoxy-biphenyl-3-carboxylic acid168618-45-952 % similar 3-Nitrobenzoic acid121-92-651 % similar 4'-Methoxy-biphenyl-3-carboxylic acid725-05-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tolcapone134308-13-7 Benzyl 4-nitrophenyl carbonate13795-24-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook