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918304-67-3 | 3-Benzofurancarboxylic acid, 7-bromo-2,3-dihydro-3-phenyl-, (3R)-
CAS No: 918304-67-3 Catalog No: AG006GGK MDL No:
Product Description
Catalog Number:
AG006GGK
Chemical Name:
3-Benzofurancarboxylic acid, 7-bromo-2,3-dihydro-3-phenyl-, (3R)-
CAS Number:
918304-67-3
Molecular Formula:
C15H11BrO3
Molecular Weight:
319.1500
IUPAC Name:
(3R)-7-bromo-3-phenyl-2H-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C15H11BrO3/c16-12-8-4-7-11-13(12)19-9-15(11,14(17)18)10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)/t15-/m1/s1
InChI Key:
WWQZWICXENJNKC-OAHLLOKOSA-N
SMILES:
Brc1cccc2c1OC[C@@]2(C(=O)O)c1ccccc1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
317.989g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.154g/mol
Monoisotopic Mass:
317.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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