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Home > Bromides > 1261268-93-2
1261268-93-2 | 2-Thiazolecarboxylic acid, 4-(2-bromophenyl)-
CAS No: 1261268-93-2 Catalog No: AG000RQ9 MDL No:MFCD07377577
Product Description
Catalog Number:
AG000RQ9
Chemical Name:
2-Thiazolecarboxylic acid, 4-(2-bromophenyl)-
CAS Number:
1261268-93-2
Molecular Formula:
C10H6BrNO2S
Molecular Weight:
284.1291
MDL Number:
MFCD07377577
IUPAC Name:
4-(2-bromophenyl)-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C10H6BrNO2S/c11-7-4-2-1-3-6(7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14)
InChI Key:
KOGNQBGZGIGTNT-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1csc(n1)C(=O)O
Properties
Complexity:
252
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:
3.2
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