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138377-90-9 | Butanamide, 2-bromo-3-methyl-N-(methylsulfonyl)-
CAS No: 138377-90-9 Catalog No: AG0018OH MDL No:
Product Description
Catalog Number:
AG0018OH
Chemical Name:
Butanamide, 2-bromo-3-methyl-N-(methylsulfonyl)-
CAS Number:
138377-90-9
Molecular Formula:
C6H12BrNO3S
Molecular Weight:
258.1334
IUPAC Name:
2-bromo-3-methyl-N-methylsulfonylbutanamide
InChI:
InChI=1S/C6H12BrNO3S/c1-4(2)5(7)6(9)8-12(3,10)11/h4-5H,1-3H3,(H,8,9)
InChI Key:
XLMCGUIDNZCCOQ-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)NS(=O)(=O)C)Br)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.972g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.13g/mol
Monoisotopic Mass:
256.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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