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

HCID 9856767

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Basic information

CAS: 376591-94-5
Standard SMILES: COc1c(-c2cccc(C(=O)O)c2)cccc1[N+](=O)[O-]
InChIKey: AAPGMCIBKOSNAL-UHFFFAOYSA-N
Molecular formula: C14H11NO5
Average molar mass: 273.24 g/mol
Monoisotopic mass: 273.06372245

Names & identifiers

Preferred name: 2'-Methoxy-3'-nitrobiphenyl-3-carboxylic acid
IUPAC: 3-(2-methoxy-3-nitrophenyl)benzoic acid
English name: 2'-Methoxy-3'-nitro-biphenyl-3-carboxylic acid
Molecular formula: C14H11NO5
Molecular weight: 273.24

Names & synonyms

376591-94-52'-methoxy-3'-nitrobiphenyl-3-carboxylic acidDTXSID50431885RefChem:241170DTXCID803827152'-Methoxy-3'-nitro-[1,1'-biphenyl]-3-carboxylic acid2'-methoxy-3'-nitro-biphenyl-3-carboxylic acid3-(2-methoxy-3-nitrophenyl)benzoic acidSCHEMBL1705873MFCD115215482'-Methoxy-3'-nitro-[1,1'-biphenyl]-3-carboxylicacidBS-49716

Show more names

Eltrombopag Impurity 20Eltrombopag Impurity 45Eltrombopag Impurity 141Eltrombopag Olamine Impurity 4Eltrombopag olamine Intermediate 32'-Methoxy-3'-nitro-3-biphenylcarboxylic acid

F715612'-Methoxy-3'-nitro[1,1'-biphenyl]-3-carboxylic acid2'-Methoxy-3'-Nitro-(1,1'-Biphenyl)-3-Carboxylic Acid[1,1'-Biphenyl]-3-carboxylic acid, 2'-methoxy-3'-nitro-3-(2-methoxy-3-nitro-phenyl)benzoic AcidZRA9NU7C8H2'-methoxy-3'-nitrobiphenylWLZ5402

Database identifiers

CAS: 376591-94-5
PubChem CID: 9856767
DTXSID: DTXSID50431885
UNII: ZRA9NU7C8H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 367

Physicochemical properties

Boiling point: 467.2 · 467.2±40.0 °C(Predicted)
Density: 1.345 · 1.345±0.06 g/cm3(Predicted)
pka: 3.95 · 3.95±0.10(Predicted)
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)
InChIKey: AAPGMCIBKOSNAL-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC([N+]([O-])=O)=C2OC)=CC=CC(C(O)=O)=C1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2''-Methoxy-3''-nitro-[1,1''-biphenyl]-3-carboxylic Acid is a reagent which can be used for preparation of pyrazolone derivatives useful in thrombocytopenia treatment