Home Sulfos 4-(2-methylpropanamido)benzene-1-sulfonyl chloride

4-(2-methylpropanamido)benzene-1-sulfonyl chloride

CAS No.:
114063-95-5
Catalog Number:
AG01C1RY
Molecular Formula:
C10H12ClNO3S
Molecular Weight:
261.7252
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Product Description
Catalog Number:
AG01C1RY
Chemical Name:
4-(2-methylpropanamido)benzene-1-sulfonyl chloride
CAS Number:
114063-95-5
Molecular Formula:
C10H12ClNO3S
Molecular Weight:
261.7252
MDL Number:
MFCD09804661
IUPAC Name:
4-(2-methylpropanoylamino)benzenesulfonyl chloride
InChI:
InChI=1S/C10H12ClNO3S/c1-7(2)10(13)12-8-3-5-9(6-4-8)16(11,14)15/h3-7H,1-2H3,(H,12,13)
InChI Key:
NEGMKGRTTKHKFH-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)Cl)C
NSC Number:
159470
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.023g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.72g/mol
Monoisotopic Mass:
261.023g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties