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210228-01-6 | 1-Propanone, 1-(4-bromo-3-methylphenyl)-
CAS No: 210228-01-6 Catalog No: AG002KN1 MDL No:MFCD18392258
Product Description
Catalog Number:
AG002KN1
Chemical Name:
1-Propanone, 1-(4-bromo-3-methylphenyl)-
CAS Number:
210228-01-6
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD18392258
IUPAC Name:
1-(4-bromo-3-methylphenyl)propan-1-one
InChI:
InChI=1S/C10H11BrO/c1-3-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
InChI Key:
GNIQKPLAEAAAPD-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(c(c1)C)Br
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.101g/mol
Monoisotopic Mass:
225.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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