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844879-49-8 | 3-BROMO-3',4'-DIMETHYLBENZOPHENONE
CAS No: 844879-49-8 Catalog No: AG0054YD MDL No:
Product Description
Catalog Number:
AG0054YD
Chemical Name:
3-BROMO-3',4'-DIMETHYLBENZOPHENONE
CAS Number:
844879-49-8
Molecular Formula:
C15H13BrO
Molecular Weight:
289.1671
IUPAC Name:
(3-bromophenyl)-(3,4-dimethylphenyl)methanone
InChI:
InChI=1S/C15H13BrO/c1-10-6-7-13(8-11(10)2)15(17)12-4-3-5-14(16)9-12/h3-9H,1-2H3
InChI Key:
OXXRWJCBXMOMTC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(=O)c1ccc(c(c1)C)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.015g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.172g/mol
Monoisotopic Mass:
288.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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