Home Halogens 2-(chloromethyl)-1,3-thiazole-4-carboxylic acid

2-(chloromethyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
842137-53-5
Catalog Number:
AG01AM02
Molecular Formula:
C5H4ClNO2S
Molecular Weight:
177.6088
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Product Description
Catalog Number:
AG01AM02
Chemical Name:
2-(chloromethyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
842137-53-5
Molecular Formula:
C5H4ClNO2S
Molecular Weight:
177.6088
MDL Number:
MFCD20636558
IUPAC Name:
2-(chloromethyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H4ClNO2S/c6-1-4-7-3(2-10-4)5(8)9/h2H,1H2,(H,8,9)
InChI Key:
AYARGRVHYSZRRW-UHFFFAOYSA-N
SMILES:
ClCc1scc(n1)C(=O)O
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.965g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.602g/mol
Monoisotopic Mass:
176.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties