Home Halogens 3-bromo-1,2-thiazole-4-carboxylic acid

3-bromo-1,2-thiazole-4-carboxylic acid

CAS No.:
1309469-83-7
Catalog Number:
AG01BYMI
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
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Product Description
Catalog Number:
AG01BYMI
Chemical Name:
3-bromo-1,2-thiazole-4-carboxylic acid
CAS Number:
1309469-83-7
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
MDL Number:
MFCD22418307
IUPAC Name:
3-bromo-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H2BrNO2S/c5-3-2(4(7)8)1-9-6-3/h1H,(H,7,8)
InChI Key:
OYMUVNBHIUQXJX-UHFFFAOYSA-N
SMILES:
OC(=O)c1csnc1Br
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.899g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.029g/mol
Monoisotopic Mass:
206.899g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties