Home Halogens Ethanone, 2-chloro-1-(4-thiazolyl)- (9CI)

Ethanone, 2-chloro-1-(4-thiazolyl)- (9CI)

CAS No.:
52540-23-5
Catalog Number:
AG00DTA1
Molecular Formula:
C5H4ClNOS
Molecular Weight:
161.6094
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Product Description
Catalog Number:
AG00DTA1
Chemical Name:
Ethanone, 2-chloro-1-(4-thiazolyl)- (9CI)
CAS Number:
52540-23-5
Molecular Formula:
C5H4ClNOS
Molecular Weight:
161.6094
MDL Number:
MFCD19232564
IUPAC Name:
2-chloro-1-(1,3-thiazol-4-yl)ethanone
InChI:
InChI=1S/C5H4ClNOS/c6-1-5(8)4-2-9-3-7-4/h2-3H,1H2
InChI Key:
KRKGGJOSMCYANQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cscn1
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