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139669-96-8 | 5-Thiazolecarboxylic acid, 2,4-dibromo-
CAS No: 139669-96-8 Catalog No: AG001BGY MDL No:MFCD09909678
Product Description
Catalog Number:
AG001BGY
Chemical Name:
5-Thiazolecarboxylic acid, 2,4-dibromo-
CAS Number:
139669-96-8
Molecular Formula:
C4HBr2NO2S
Molecular Weight:
286.9292
MDL Number:
MFCD09909678
IUPAC Name:
2,4-dibromo-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4HBr2NO2S/c5-2-1(3(8)9)10-4(6)7-2/h(H,8,9)
InChI Key:
VHMOYJYPQAAQJZ-UHFFFAOYSA-N
SMILES:
Brc1nc(c(s1)C(=O)O)Br
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.807g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.925g/mol
Monoisotopic Mass:
284.809g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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