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1373232-80-4 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-4-fluoro-, methyl ester, hydrochloride (1:1)
CAS No: 1373232-80-4 Catalog No: AG00134D MDL No:MFCD22192348
Product Description
Catalog Number:
AG00134D
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-amino-4-fluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
1373232-80-4
Molecular Formula:
C14H13ClFNO2
Molecular Weight:
281.7099
MDL Number:
MFCD22192348
IUPAC Name:
methyl 5-(3-aminophenyl)-2-fluorobenzoate;hydrochloride
InChI:
InChI=1S/C14H12FNO2.ClH/c1-18-14(17)12-8-10(5-6-13(12)15)9-3-2-4-11(16)7-9;/h2-8H,16H2,1H3;1H
InChI Key:
JJKTXDIRTJNMDQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1F)c1cccc(c1)N.Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.711g/mol
Monoisotopic Mass:
281.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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