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1353947-53-1 | 2-Chloro-N-methyl-N-thiazol-5-ylmethyl-acetamide
CAS No: 1353947-53-1 Catalog No: AG01F9IM MDL No:
Product Description
Catalog Number:
AG01F9IM
Chemical Name:
2-Chloro-N-methyl-N-thiazol-5-ylmethyl-acetamide
CAS Number:
1353947-53-1
Molecular Formula:
C7H9ClN2OS
Molecular Weight:
204.6772
IUPAC Name:
2-chloro-N-methyl-N-(1,3-thiazol-5-ylmethyl)acetamide
InChI:
InChI=1S/C7H9ClN2OS/c1-10(7(11)2-8)4-6-3-9-5-12-6/h3,5H,2,4H2,1H3
InChI Key:
LNWQXXMTQJJXOP-UHFFFAOYSA-N
SMILES:
CN(C(=O)CCl)Cc1cncs1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.672g/mol
Monoisotopic Mass:
204.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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