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1261948-82-6 | [1,1'-Biphenyl]-3-carboxylic acid, 5-amino-3'-fluoro-2'-methyl-
CAS No: 1261948-82-6 Catalog No: AG000S7Q MDL No:MFCD18319594
Product Description
Catalog Number:
AG000S7Q
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 5-amino-3'-fluoro-2'-methyl-
CAS Number:
1261948-82-6
Molecular Formula:
C14H12FNO2
Molecular Weight:
245.2490
MDL Number:
MFCD18319594
IUPAC Name:
3-amino-5-(3-fluoro-2-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H12FNO2/c1-8-12(3-2-4-13(8)15)9-5-10(14(17)18)7-11(16)6-9/h2-7H,16H2,1H3,(H,17,18)
InChI Key:
CJNNLHJGPSVYML-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)c1cccc(c1C)F)C(=O)O
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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