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Home > Bromides > 1235440-93-3
1235440-93-3 | 3-(5-Bromo-2-furyl)benzoic acid
CAS No: 1235440-93-3 Catalog No: AG01FEUD MDL No:
Product Description
Catalog Number:
AG01FEUD
Chemical Name:
3-(5-Bromo-2-furyl)benzoic acid
CAS Number:
1235440-93-3
Molecular Formula:
C11H7BrO3
Molecular Weight:
267.0755
IUPAC Name:
3-(5-bromofuran-2-yl)benzoic acid
InChI:
InChI=1S/C11H7BrO3/c12-10-5-4-9(15-10)7-2-1-3-8(6-7)11(13)14/h1-6H,(H,13,14)
InChI Key:
NIGZJALMSBKBEV-UHFFFAOYSA-N
SMILES:
Brc1ccc(o1)c1cccc(c1)C(=O)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.958g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.078g/mol
Monoisotopic Mass:
265.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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