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54-59-1 | 2-((3-Fluorophenyl);amino);benzoic acid
CAS No: 54-59-1 Catalog No: AG003SAY MDL No:MFCD01675228
Product Description
Catalog Number:
AG003SAY
Chemical Name:
2-((3-Fluorophenyl);amino);benzoic acid
CAS Number:
54-59-1
Molecular Formula:
C13H10FNO2
Molecular Weight:
231.2224
MDL Number:
MFCD01675228
IUPAC Name:
2-(3-fluoroanilino)benzoic acid
InChI:
InChI=1S/C13H10FNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
HYZIDPAMLUKNIR-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)Nc1ccccc1C(=O)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.07g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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