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5198-88-9 | 2-Bromothiazole-4-carboxylic acid
CAS No: 5198-88-9 Catalog No: AG003GP0 MDL No:MFCD04115729
Product Description
Catalog Number:
AG003GP0
Chemical Name:
2-Bromothiazole-4-carboxylic acid
CAS Number:
5198-88-9
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
MDL Number:
MFCD04115729
IUPAC Name:
2-bromo-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C4H2BrNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChI Key:
BEGREHRAUWCAHV-UHFFFAOYSA-N
SMILES:
OC(=O)c1csc(n1)Br
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:
1.8
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