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850429-61-7 | Methyl 2-chloro-4-thiazolecarboxylate
CAS No: 850429-61-7 Catalog No: AG0036DM MDL No:MFCD06659909
Product Description
Catalog Number:
AG0036DM
Chemical Name:
Methyl 2-chloro-4-thiazolecarboxylate
CAS Number:
850429-61-7
Molecular Formula:
C5H4ClNO2S
Molecular Weight:
177.6088
MDL Number:
MFCD06659909
IUPAC Name:
methyl 2-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H4ClNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChI Key:
PZLJTHDJLAXFAW-UHFFFAOYSA-N
SMILES:
COC(=O)c1csc(n1)Cl
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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