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1016-77-9 | Methanone, (3-bromophenyl)phenyl-
CAS No: 1016-77-9 Catalog No: AG0004Y2 MDL No:MFCD00672015
Product Description
Catalog Number:
AG0004Y2
Chemical Name:
Methanone, (3-bromophenyl)phenyl-
CAS Number:
1016-77-9
Molecular Formula:
C13H9BrO
Molecular Weight:
261.1140
MDL Number:
MFCD00672015
IUPAC Name:
(3-bromophenyl)-phenylmethanone
InChI:
InChI=1S/C13H9BrO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9H
InChI Key:
XNUMUNIJQMSNNN-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)c1ccccc1
EC Number:
213-808-5
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.118g/mol
Monoisotopic Mass:
259.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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