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88681-10-1 | 2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(phenylmethyl)phenyl]-
CAS No: 88681-10-1 Catalog No: AG0047GG MDL No:
Product Description
Catalog Number:
AG0047GG
Chemical Name:
2-Propen-1-one, 3-(4-bromophenyl)-1-[4-(phenylmethyl)phenyl]-
CAS Number:
88681-10-1
Molecular Formula:
C22H17BrO
Molecular Weight:
377.2738
IUPAC Name:
1-(4-benzylphenyl)-3-(4-bromophenyl)prop-2-en-1-one
InChI:
InChI=1S/C22H17BrO/c23-21-13-8-17(9-14-21)10-15-22(24)20-11-6-19(7-12-20)16-18-4-2-1-3-5-18/h1-15H,16H2
InChI Key:
RVQFYHVUFUURKL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C=CC(=O)c1ccc(cc1)Cc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.046g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.281g/mol
Monoisotopic Mass:
376.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.7
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