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861307-25-7 | 2-BROMO-3'-CHLORO-4'-METHYLBENZOPHENONE
CAS No: 861307-25-7 Catalog No: AG004P2N MDL No:
Product Description
Catalog Number:
AG004P2N
Chemical Name:
2-BROMO-3'-CHLORO-4'-METHYLBENZOPHENONE
CAS Number:
861307-25-7
Molecular Formula:
C14H10BrClO
Molecular Weight:
309.5856
IUPAC Name:
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
InChI:
InChI=1S/C14H10BrClO/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8H,1H3
InChI Key:
PENBKHGCAXJRAW-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C(=O)c1ccc(c(c1)Cl)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.96g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.587g/mol
Monoisotopic Mass:
307.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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