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1784463-68-8

1784463-68-8 | 4-Thiazolecarboxylic acid, 5-chloro-, methyl ester

CAS No: 1784463-68-8 Catalog No: AG00261Y MDL No:MFCD28520190

Product Description

Catalog Number:
AG00261Y
Chemical Name:
4-Thiazolecarboxylic acid, 5-chloro-, methyl ester
CAS Number:
1784463-68-8
Molecular Formula:
C5H4ClNO2S
Molecular Weight:
177.6088
MDL Number:
MFCD28520190
IUPAC Name:
methyl 5-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H4ClNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3
InChI Key:
CBUGUIRVEVWZGR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ncsc1Cl

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:
0
Isotope Atom Count:
0
Molecular Weight:
177.602g/mol
Monoisotopic Mass:
176.965g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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