Home Halogens 2-chloro-1-(1,2-thiazol-5-yl)ethan-1-one

2-chloro-1-(1,2-thiazol-5-yl)ethan-1-one

CAS No.:
2044713-56-4
Catalog Number:
AG01C4XW
Molecular Formula:
C5H4ClNOS
Molecular Weight:
161.6094
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Product Description
Catalog Number:
AG01C4XW
Chemical Name:
2-chloro-1-(1,2-thiazol-5-yl)ethan-1-one
CAS Number:
2044713-56-4
Molecular Formula:
C5H4ClNOS
Molecular Weight:
161.6094
MDL Number:
MFCD30476077
IUPAC Name:
2-chloro-1-(1,2-thiazol-5-yl)ethanone
InChI:
InChI=1S/C5H4ClNOS/c6-3-4(8)5-1-2-7-9-5/h1-2H,3H2
InChI Key:
PBCOCFDXZGIIJY-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccns1
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.97g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.603g/mol
Monoisotopic Mass:
160.97g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties