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28614-07-5 | 2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-
CAS No: 28614-07-5 Catalog No: AG002VVT MDL No:
Product Description
Catalog Number:
AG002VVT
Chemical Name:
2H-1-Benzopyran-2-one, 3-[3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-oxo-1-phenylpropyl]-4-hydroxy-
CAS Number:
28614-07-5
Molecular Formula:
C30H21BrO4
Molecular Weight:
525.3893
IUPAC Name:
3-[3-[4-(4-bromophenyl)phenyl]-3-oxo-1-phenylpropyl]-4-hydroxychromen-2-one
InChI:
InChI=1S/C30H21BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25,33H,18H2
InChI Key:
PXUKHUIJBDEIKD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccc(cc1)C(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccccc1
EC Number:
249-106-0
Properties
Complexity:
784
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.062g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
525.398g/mol
Monoisotopic Mass:
524.062g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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