| CAS Number | 158580-55-3 |
| Catalog Number | AG00ASKB(AGN-PC-0A4ODZ) |
| Chemical Name | Methyl 2-chloro-4-(methylsulfonamido)benzoate |
| IUPAC Name | methyl 2-chloro-4-(methanesulfonamido)benzoate |
| InChI | InChI=1S/C9H10ClNO4S/c1-15-9(12)7-4-3-6(5-8(7)10)11-16(2,13)14/h3-5,11H,1-2H3 |
| InChI Key | QNYNNMWDNBVMLO-UHFFFAOYSA-N |
| MDL Number | MFCD27955546 |
| Molecular Formula | C9H10ClNO4S |
| Molecular Weight | 263.6980 |
| SMILES | O=C(OC)C1=CC=C(NS(=O)(C)=O)C=C1Cl |
| Synonyms | methyl 2-chloro-4-(methylsulfonamido)benzoate,
158580-55-3,
methyl 2-chloro-4(N-methylsulphonylamino)benzoate,
SCHEMBL1016778,
QNYNNMWDNBVMLO-UHFFFAOYSA-N,
MFCD27955546,
AKOS025120129,
ZINC115040777,
AK544505,
DS-19317,
methyl-2-chloro-4-(methylsulfonamido)benzoate,
methyl 2-chloro-4-(methanesulfonamido)benzoate,
methyl 2-chloro4-(N-methylsulphonylamino)benzoate,
2-Chloro-4-[(methylsulfonyl)amino]-benzoic acid methyl ester,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.692g/mol |
| Monoisotopic Mass | 263.002g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number