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136538-94-8 | 4-Thiazolecarboxylic acid, 5-amino-2-chloro-, methyl ester
CAS No: 136538-94-8 Catalog No: AG00121O MDL No:MFCD16615255
Product Description
Catalog Number:
AG00121O
Chemical Name:
4-Thiazolecarboxylic acid, 5-amino-2-chloro-, methyl ester
CAS Number:
136538-94-8
Molecular Formula:
C5H5ClN2O2S
Molecular Weight:
192.6234
MDL Number:
MFCD16615255
IUPAC Name:
methyl 5-amino-2-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H5ClN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChI Key:
DJZSROIEFSRXGJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1N)Cl
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.617g/mol
Monoisotopic Mass:
191.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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