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1353980-18-3 | 2-Chloro-N-isopropyl-N-thiazol-5-ylmethyl-acetamide
CAS No: 1353980-18-3 Catalog No: AG01F8S0 MDL No:
Product Description
Catalog Number:
AG01F8S0
Chemical Name:
2-Chloro-N-isopropyl-N-thiazol-5-ylmethyl-acetamide
CAS Number:
1353980-18-3
Molecular Formula:
C9H13ClN2OS
Molecular Weight:
232.7303
IUPAC Name:
2-chloro-N-propan-2-yl-N-(1,3-thiazol-5-ylmethyl)acetamide
InChI:
InChI=1S/C9H13ClN2OS/c1-7(2)12(9(13)3-10)5-8-4-11-6-14-8/h4,6-7H,3,5H2,1-2H3
InChI Key:
VXNOSCIIDSZYKC-UHFFFAOYSA-N
SMILES:
ClCC(=O)N(C(C)C)Cc1scnc1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.726g/mol
Monoisotopic Mass:
232.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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