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1225803-85-9 | 2-Chloro-N-(1-thiazol-2-yl-ethyl)-acetamide
CAS No: 1225803-85-9 Catalog No: AG01FAV7 MDL No:
Product Description
Catalog Number:
AG01FAV7
Chemical Name:
2-Chloro-N-(1-thiazol-2-yl-ethyl)-acetamide
CAS Number:
1225803-85-9
Molecular Formula:
C7H9ClN2OS
Molecular Weight:
204.6772
IUPAC Name:
2-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
InChI:
InChI=1S/C7H9ClN2OS/c1-5(10-6(11)4-8)7-9-2-3-12-7/h2-3,5H,4H2,1H3,(H,10,11)
InChI Key:
HBTKIIXMNCPIFH-UHFFFAOYSA-N
SMILES:
ClCC(=O)NC(c1nccs1)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
204.672g/mol
Monoisotopic Mass:
204.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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