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690646-12-9 | Benzoicacid, 4-[[[(2,6-difluorophenyl)sulfonyl]amino]methyl]-
CAS No: 690646-12-9 Catalog No: AG005LRH MDL No:
Product Description
Catalog Number:
AG005LRH
Chemical Name:
Benzoicacid, 4-[[[(2,6-difluorophenyl)sulfonyl]amino]methyl]-
CAS Number:
690646-12-9
Molecular Formula:
C14H11F2NO4S
Molecular Weight:
327.3032
IUPAC Name:
4-[[(2,6-difluorophenyl)sulfonylamino]methyl]benzoic acid
InChI:
InChI=1S/C14H11F2NO4S/c15-11-2-1-3-12(16)13(11)22(20,21)17-8-9-4-6-10(7-5-9)14(18)19/h1-7,17H,8H2,(H,18,19)
InChI Key:
KEAPEXOGYMGTMZ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1S(=O)(=O)NCc1ccc(cc1)C(=O)O)F
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.038g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.302g/mol
Monoisotopic Mass:
327.038g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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