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951891-41-1 | 2-Bromo-3',4'-dichlorobenzophenone
CAS No: 951891-41-1 Catalog No: AG01EZY0 MDL No:
Product Description
Catalog Number:
AG01EZY0
Chemical Name:
2-Bromo-3',4'-dichlorobenzophenone
CAS Number:
951891-41-1
Molecular Formula:
C13H7BrCl2O
Molecular Weight:
330.0041
IUPAC Name:
(2-bromophenyl)-(3,4-dichlorophenyl)methanone
InChI:
InChI=1S/C13H7BrCl2O/c14-10-4-2-1-3-9(10)13(17)8-5-6-11(15)12(16)7-8/h1-7H
InChI Key:
PTIRIQPPOQNNCL-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.906g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.002g/mol
Monoisotopic Mass:
327.906g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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