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20884-66-6 | Benzamide, 4-[(1-methylethyl)sulfonyl]-
CAS No: 20884-66-6 Catalog No: AG002JXC MDL No:
Product Description
Catalog Number:
AG002JXC
Chemical Name:
Benzamide, 4-[(1-methylethyl)sulfonyl]-
CAS Number:
20884-66-6
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
IUPAC Name:
4-propan-2-ylsulfonylbenzamide
InChI:
InChI=1S/C10H13NO3S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
InChI Key:
SCHHCBRKJGZVOR-UHFFFAOYSA-N
SMILES:
CC(S(=O)(=O)c1ccc(cc1)C(=O)N)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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