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141944-14-1 | 1-Propanone, 1,3-bis[3-(bromomethyl)-2-methylphenyl]-
CAS No: 141944-14-1 Catalog No: AG001HFL MDL No:
Product Description
Catalog Number:
AG001HFL
Chemical Name:
1-Propanone, 1,3-bis[3-(bromomethyl)-2-methylphenyl]-
CAS Number:
141944-14-1
Molecular Formula:
C19H20Br2O
Molecular Weight:
424.1695
IUPAC Name:
1,3-bis[3-(bromomethyl)-2-methylphenyl]propan-1-one
InChI:
InChI=1S/C19H20Br2O/c1-13-15(5-3-6-16(13)11-20)9-10-19(22)18-8-4-7-17(12-21)14(18)2/h3-8H,9-12H2,1-2H3
InChI Key:
ZTUDQXSNJLVNBI-UHFFFAOYSA-N
SMILES:
BrCc1cccc(c1C)CCC(=O)c1cccc(c1C)CBr
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.986g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.176g/mol
Monoisotopic Mass:
421.988g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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