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41731-52-6 | Ethyl 2-chloro-4-thiazolecarboxylate
CAS No: 41731-52-6 Catalog No: AG0037WI MDL No:MFCD11045348
Product Description
Catalog Number:
AG0037WI
Chemical Name:
Ethyl 2-chloro-4-thiazolecarboxylate
CAS Number:
41731-52-6
Molecular Formula:
C6H6ClNO2S
Molecular Weight:
191.6353
MDL Number:
MFCD11045348
IUPAC Name:
ethyl 2-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key:
GILVNZWYCBUGMT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)Cl
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.981g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.629g/mol
Monoisotopic Mass:
190.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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