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136539-01-0 | 4-Thiazolecarboxylic acid, 2-amino-5-chloro-, ethyl ester
CAS No: 136539-01-0 Catalog No: AG00121M MDL No:MFCD08704623
Product Description
Catalog Number:
AG00121M
Chemical Name:
4-Thiazolecarboxylic acid, 2-amino-5-chloro-, ethyl ester
CAS Number:
136539-01-0
Molecular Formula:
C6H7ClN2O2S
Molecular Weight:
206.6500
MDL Number:
MFCD08704623
IUPAC Name:
ethyl 2-amino-5-chloro-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H7ClN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)
InChI Key:
JILQJAVCOAVWCC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(sc1Cl)N
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.644g/mol
Monoisotopic Mass:
205.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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