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88982-82-5 | 4-Bromo-1,3-thiazole-2-carboxylic acid
CAS No: 88982-82-5 Catalog No: AG0045K3 MDL No:MFCD09701413
Product Description
Catalog Number:
AG0045K3
Chemical Name:
4-Bromo-1,3-thiazole-2-carboxylic acid
CAS Number:
88982-82-5
Molecular Formula:
C4H2BrNO2S
Molecular Weight:
208.0332
MDL Number:
MFCD09701413
IUPAC Name:
4-bromo-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C4H2BrNO2S/c5-2-1-9-3(6-2)4(7)8/h1H,(H,7,8)
InChI Key:
AYUAEJPYEJEHJN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(cs1)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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