Home Halogens 5-Amino-2-bromo-thiazole-4-carboxylic acid methyl ester

5-Amino-2-bromo-thiazole-4-carboxylic acid methyl ester

CAS No.:
1373223-08-5
Catalog Number:
AG009K5V
Molecular Formula:
C5H5BrN2O2S
Molecular Weight:
237.0744
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Product Description
Catalog Number:
AG009K5V
Chemical Name:
5-Amino-2-bromo-thiazole-4-carboxylic acid methyl ester
CAS Number:
1373223-08-5
Molecular Formula:
C5H5BrN2O2S
Molecular Weight:
237.0744
MDL Number:
MFCD22201201
IUPAC Name:
methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3
InChI Key:
ZUZZOMNVTBAESU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc(sc1N)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.926g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.071g/mol
Monoisotopic Mass:
235.926g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties