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874622-79-4 | 4-[(methylamino)carbonyl]benzenesulfonyl chloride
CAS No: 874622-79-4 Catalog No: AG00GVOL MDL No:MFCD07691322
Product Description
Catalog Number:
AG00GVOL
Chemical Name:
4-[(methylamino)carbonyl]benzenesulfonyl chloride
CAS Number:
874622-79-4
Molecular Formula:
C8H8ClNO3S
Molecular Weight:
233.6720
MDL Number:
MFCD07691322
IUPAC Name:
4-(methylcarbamoyl)benzenesulfonyl chloride
InChI:
InChI=1S/C8H8ClNO3S/c1-10-8(11)6-2-4-7(5-3-6)14(9,12)13/h2-5H,1H3,(H,10,11)
InChI Key:
BNMWGTKOMIXMRX-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.666g/mol
Monoisotopic Mass:
232.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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