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69076-60-4 | 2-[[(3,4-DIFLUOROPHENYL)AMINO]CARBONYL]-BENZOIC ACID
CAS No: 69076-60-4 Catalog No: AG005LPL MDL No:
Product Description
Catalog Number:
AG005LPL
Chemical Name:
2-[[(3,4-DIFLUOROPHENYL)AMINO]CARBONYL]-BENZOIC ACID
CAS Number:
69076-60-4
Molecular Formula:
C14H9F2NO3
Molecular Weight:
277.2230
IUPAC Name:
2-[(3,4-difluorophenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C14H9F2NO3/c15-11-6-5-8(7-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-7H,(H,17,18)(H,19,20)
InChI Key:
ITEPYEQPXHDMCJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)Nc1ccc(c(c1)F)F
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.055g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.227g/mol
Monoisotopic Mass:
277.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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