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13915-76-9 | Butanamide, N-(5-chloro-2-thiazolyl)-2-methyl-
CAS No: 13915-76-9 Catalog No: AG001AEV MDL No:
Product Description
Catalog Number:
AG001AEV
Chemical Name:
Butanamide, N-(5-chloro-2-thiazolyl)-2-methyl-
CAS Number:
13915-76-9
Molecular Formula:
C8H11ClN2OS
Molecular Weight:
218.7037
IUPAC Name:
N-(5-chloro-1,3-thiazol-2-yl)-2-methylbutanamide
InChI:
InChI=1S/C8H11ClN2OS/c1-3-5(2)7(12)11-8-10-4-6(9)13-8/h4-5H,3H2,1-2H3,(H,10,11,12)
InChI Key:
QQONLFOFRZTMKB-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1ncc(s1)Cl)CC
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.699g/mol
Monoisotopic Mass:
218.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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