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26145-14-2 | 2-Thiophenecarboxylic acid, 4-(4-bromophenyl)-
CAS No: 26145-14-2 Catalog No: AG002RV2 MDL No:MFCD03407986
Product Description
Catalog Number:
AG002RV2
Chemical Name:
2-Thiophenecarboxylic acid, 4-(4-bromophenyl)-
CAS Number:
26145-14-2
Molecular Formula:
C11H7BrO2S
Molecular Weight:
283.1411
MDL Number:
MFCD03407986
IUPAC Name:
4-(4-bromophenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChI Key:
PZHUPHYFDBYWCQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1csc(c1)C(=O)O
Properties
Complexity:
239
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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