Home Carboxys 4-Bromoisothiazole-3-carboxylic acid

4-Bromoisothiazole-3-carboxylic acid

CAS No.:
4576-88-9
Catalog Number:
AG00I8J9
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
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Product Description
Catalog Number:
AG00I8J9
Chemical Name:
4-Bromoisothiazole-3-carboxylic acid
CAS Number:
4576-88-9
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
MDL Number:
MFCD24481898
IUPAC Name:
4-bromo-1,2-thiazole-3-carboxylic acid
InChI:
InChI=1S/C4H2BrNO2S/c5-2-1-9-6-3(2)4(7)8/h1H,(H,7,8)
InChI Key:
AZXGRLSGOYZQAR-UHFFFAOYSA-N
SMILES:
OC(=O)c1nscc1Br
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