Home Other Building Blocks 5-BROMO-3-METHYL-ISOTHIAZOLE-4-CARBOXYLIC ACID

5-BROMO-3-METHYL-ISOTHIAZOLE-4-CARBOXYLIC ACID

CAS No.:
23310-81-8
Catalog Number:
AG01DW96
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
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Product Description
Catalog Number:
AG01DW96
Chemical Name:
5-BROMO-3-METHYL-ISOTHIAZOLE-4-CARBOXYLIC ACID
CAS Number:
23310-81-8
Molecular Formula:
C5H4BrNO2S
Molecular Weight:
222.0598
IUPAC Name:
5-bromo-3-methyl-1,2-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2S/c1-2-3(5(8)9)4(6)10-7-2/h1H3,(H,8,9)
InChI Key:
ARHIBOUYOCZHRU-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)snc1C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.915g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
222.056g/mol
Monoisotopic Mass:
220.915g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties