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2632-14-6 | Ethanone, 2-bromo-1-(4-ethylphenyl)-
CAS No: 2632-14-6 Catalog No: AG002SPM MDL No:MFCD00981997
Product Description
Catalog Number:
AG002SPM
Chemical Name:
Ethanone, 2-bromo-1-(4-ethylphenyl)-
CAS Number:
2632-14-6
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD00981997
IUPAC Name:
2-bromo-1-(4-ethylphenyl)ethanone
InChI:
InChI=1S/C10H11BrO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6H,2,7H2,1H3
InChI Key:
XNYSPDGJBPTDDI-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)CC
Properties
Complexity:
148
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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