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89284-01-5 | 4-Bromo-3-methyl-isothiazole-5-carboxylic acid
CAS No: 89284-01-5 Catalog No: AG01FGY2 MDL No:
Product Description
Catalog Number:
AG01FGY2
Chemical Name:
4-Bromo-3-methyl-isothiazole-5-carboxylic acid
CAS Number:
89284-01-5
IUPAC Name:
4-bromo-3-methyl-1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C5H4BrNO2S/c1-2-3(6)4(5(8)9)10-7-2/h1H3,(H,8,9)
InChI Key:
YTNVKBQZJREQLR-UHFFFAOYSA-N
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
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