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951890-10-1 | 3-Bromo-3'-chloro-4'-fluorobenzophenone
CAS No: 951890-10-1 Catalog No: AG01EZUX MDL No:
Product Description
Catalog Number:
AG01EZUX
Chemical Name:
3-Bromo-3'-chloro-4'-fluorobenzophenone
CAS Number:
951890-10-1
Molecular Formula:
C13H7BrClFO
Molecular Weight:
313.5495
IUPAC Name:
(3-bromophenyl)-(3-chloro-4-fluorophenyl)methanone
InChI:
InChI=1S/C13H7BrClFO/c14-10-3-1-2-8(6-10)13(17)9-4-5-12(16)11(15)7-9/h1-7H
InChI Key:
ASHOVAKBDGRJMF-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)c1ccc(c(c1)Cl)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.935g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.55g/mol
Monoisotopic Mass:
311.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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