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Home > Bromides > 1266996-84-2
1266996-84-2 | 1-Butanone, 1-(4-bromo-3-methylphenyl)-
CAS No: 1266996-84-2 Catalog No: AG000T48 MDL No:MFCD19237229
Product Description
Catalog Number:
AG000T48
Chemical Name:
1-Butanone, 1-(4-bromo-3-methylphenyl)-
CAS Number:
1266996-84-2
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD19237229
IUPAC Name:
1-(4-bromo-3-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13BrO/c1-3-4-11(13)9-5-6-10(12)8(2)7-9/h5-7H,3-4H2,1-2H3
InChI Key:
ZIQTVVDEDLNVKS-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1ccc(c(c1)C)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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