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898782-33-7 | 3'-Bromo-3-(3-bromophenyl)propiophenone
CAS No: 898782-33-7 Catalog No: AG01EYXB MDL No:
Product Description
Catalog Number:
AG01EYXB
Chemical Name:
3'-Bromo-3-(3-bromophenyl)propiophenone
CAS Number:
898782-33-7
Molecular Formula:
C15H12Br2O
Molecular Weight:
368.0632
IUPAC Name:
1,3-bis(3-bromophenyl)propan-1-one
InChI:
InChI=1S/C15H12Br2O/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8H2
InChI Key:
PQJZYSCKOJMEON-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CCC(=O)c1cccc(c1)Br
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.923g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.068g/mol
Monoisotopic Mass:
365.925g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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