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16053-36-4 | Benzoic acid, 2-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-
CAS No: 16053-36-4 Catalog No: AG001S0D MDL No:
Product Description
Catalog Number:
AG001S0D
Chemical Name:
Benzoic acid, 2-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]-
CAS Number:
16053-36-4
Molecular Formula:
C15H10F3NO3
Molecular Weight:
309.2400
IUPAC Name:
2-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
InChI:
InChI=1S/C15H10F3NO3/c16-15(17,18)9-4-3-5-10(8-9)19-13(20)11-6-1-2-7-12(11)14(21)22/h1-8H,(H,19,20)(H,21,22)
InChI Key:
FFMRPOSNJLCIBB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)Nc1cccc(c1)C(F)(F)F
NSC Number:
225615
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.061g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.244g/mol
Monoisotopic Mass:
309.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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