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898760-95-7

898760-95-7 | 3-(4-Bromophenyl)-2'-methylpropiophenone

CAS No: 898760-95-7 Catalog No: AG01EYUK MDL No:

Product Description

Catalog Number:
AG01EYUK
Chemical Name:
3-(4-Bromophenyl)-2'-methylpropiophenone
CAS Number:
898760-95-7
Molecular Formula:
C16H15BrO
Molecular Weight:
303.1937
IUPAC Name:
3-(4-bromophenyl)-1-(2-methylphenyl)propan-1-one
InChI:
InChI=1S/C16H15BrO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-7,9-10H,8,11H2,1H3
InChI Key:
XGVRBURKUZJLTB-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CCC(=O)c1ccccc1C

Properties

Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.031g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.199g/mol
Monoisotopic Mass:
302.031g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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