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2633-50-3 | Ethanone, 2-bromo-1-(3,4-dimethylphenyl)-
CAS No: 2633-50-3 Catalog No: AG002SSA MDL No:MFCD00460860
Product Description
Catalog Number:
AG002SSA
Chemical Name:
Ethanone, 2-bromo-1-(3,4-dimethylphenyl)-
CAS Number:
2633-50-3
Molecular Formula:
C10H11BrO
Molecular Weight:
227.0977
MDL Number:
MFCD00460860
IUPAC Name:
2-bromo-1-(3,4-dimethylphenyl)ethanone
InChI:
InChI=1S/C10H11BrO/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5H,6H2,1-2H3
InChI Key:
LTCYMNSEASALNB-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)C)C
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:
3.7
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