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139229-80-4 | Benzoyl chloride, 4-methyl-3-[[(4-methylphenyl)sulfonyl]amino]-
CAS No: 139229-80-4 Catalog No: AG001AJN MDL No:
Product Description
Catalog Number:
AG001AJN
Chemical Name:
Benzoyl chloride, 4-methyl-3-[[(4-methylphenyl)sulfonyl]amino]-
CAS Number:
139229-80-4
Molecular Formula:
C15H14ClNO3S
Molecular Weight:
323.7946
IUPAC Name:
4-methyl-3-[(4-methylphenyl)sulfonylamino]benzoyl chloride
InChI:
InChI=1S/C15H14ClNO3S/c1-10-3-7-13(8-4-10)21(19,20)17-14-9-12(15(16)18)6-5-11(14)2/h3-9,17H,1-2H3
InChI Key:
HOAFHQIWZLSINB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1C)C(=O)Cl
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.791g/mol
Monoisotopic Mass:
323.038g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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