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1311197-78-0 | 1-Pentanone, 1-(4-bromo-3-methylphenyl)-
CAS No: 1311197-78-0 Catalog No: AG000VJ4 MDL No:MFCD19237230
Product Description
Catalog Number:
AG000VJ4
Chemical Name:
1-Pentanone, 1-(4-bromo-3-methylphenyl)-
CAS Number:
1311197-78-0
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
MDL Number:
MFCD19237230
IUPAC Name:
1-(4-bromo-3-methylphenyl)pentan-1-one
InChI:
InChI=1S/C12H15BrO/c1-3-4-5-12(14)10-6-7-11(13)9(2)8-10/h6-8H,3-5H2,1-2H3
InChI Key:
LVSCDTUYSNVPNI-UHFFFAOYSA-N
SMILES:
CCCCC(=O)c1ccc(c(c1)C)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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