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854020-89-6 | 3-BROMO-2'-METHYLBENZOPHENONE
CAS No: 854020-89-6 Catalog No: AG004OFM MDL No:
Product Description
Catalog Number:
AG004OFM
Chemical Name:
3-BROMO-2'-METHYLBENZOPHENONE
CAS Number:
854020-89-6
Molecular Formula:
C14H11BrO
Molecular Weight:
275.1405
IUPAC Name:
(3-bromophenyl)-(2-methylphenyl)methanone
InChI:
InChI=1S/C14H11BrO/c1-10-5-2-3-8-13(10)14(16)11-6-4-7-12(15)9-11/h2-9H,1H3
InChI Key:
YALAPASTOMTKIH-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)c1ccccc1C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.999g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.145g/mol
Monoisotopic Mass:
273.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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