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1447213-80-0 | Benzoic acid, 2-chloro-6-[(methylsulfonyl)amino]-, ethyl ester
CAS No: 1447213-80-0 Catalog No: AG001K2S MDL No:MFCD25292793
Product Description
Catalog Number:
AG001K2S
Chemical Name:
Benzoic acid, 2-chloro-6-[(methylsulfonyl)amino]-, ethyl ester
CAS Number:
1447213-80-0
Molecular Formula:
C10H12ClNO4S
Molecular Weight:
277.7246
MDL Number:
MFCD25292793
IUPAC Name:
ethyl 2-chloro-6-(methanesulfonamido)benzoate
InChI:
InChI=1S/C10H12ClNO4S/c1-3-16-10(13)9-7(11)5-4-6-8(9)12-17(2,14)15/h4-6,12H,3H2,1-2H3
InChI Key:
OMQFQSWXBYOKLG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)cccc1NS(=O)(=O)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.719g/mol
Monoisotopic Mass:
277.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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