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84466-05-7 | Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester
CAS No: 84466-05-7 Catalog No: AG00550R MDL No:
Product Description
Catalog Number:
AG00550R
Chemical Name:
Benzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester
CAS Number:
84466-05-7
Molecular Formula:
C9H7ClF3NO4S
Molecular Weight:
317.6694
IUPAC Name:
methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
InChI:
InChI=1S/C9H7ClF3NO4S/c1-18-8(15)6-4-5(10)2-3-7(6)14-19(16,17)9(11,12)13/h2-4,14H,1H3
InChI Key:
KBHDSWIXRODKSZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F
UNII:
N8D88V49HD
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.974g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.663g/mol
Monoisotopic Mass:
316.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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