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Home > Bromides > 1253201-96-5
1253201-96-5 | 2-Thiazolecarboxylic acid, 5-bromo-4-phenyl-
CAS No: 1253201-96-5 Catalog No: AG000NH7 MDL No:
Product Description
Catalog Number:
AG000NH7
Chemical Name:
2-Thiazolecarboxylic acid, 5-bromo-4-phenyl-
CAS Number:
1253201-96-5
Molecular Formula:
C10H6BrNO2S
Molecular Weight:
284.1291
IUPAC Name:
5-bromo-4-phenyl-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2S/c11-8-7(6-4-2-1-3-5-6)12-9(15-8)10(13)14/h1-5H,(H,13,14)
InChI Key:
FMYBFAOZIXKYDP-UHFFFAOYSA-N
SMILES:
Brc1sc(nc1c1ccccc1)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.127g/mol
Monoisotopic Mass:
282.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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