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1017687-42-1 | 2-Thiophenecarboxylic acid, 3-bromo-5-phenyl-
CAS No: 1017687-42-1 Catalog No: AG0005FL MDL No:
Product Description
Catalog Number:
AG0005FL
Chemical Name:
2-Thiophenecarboxylic acid, 3-bromo-5-phenyl-
CAS Number:
1017687-42-1
Molecular Formula:
C11H7BrO2S
Molecular Weight:
283.1411
IUPAC Name:
3-bromo-5-phenylthiophene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2S/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,(H,13,14)
InChI Key:
MJFRFJZYUNUNJS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(cc1Br)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.935g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.139g/mol
Monoisotopic Mass:
281.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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