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84933-54-0 | 2-Propen-1-one, 3-(4-bromophenyl)-1-(2-methyloxiranyl)-, (E)-
CAS No: 84933-54-0 Catalog No: AG004VBT MDL No:
Product Description
Catalog Number:
AG004VBT
Chemical Name:
2-Propen-1-one, 3-(4-bromophenyl)-1-(2-methyloxiranyl)-, (E)-
CAS Number:
84933-54-0
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
IUPAC Name:
3-(4-bromophenyl)-1-(2-methyloxiran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C12H11BrO2/c1-12(8-15-12)11(14)7-4-9-2-5-10(13)6-3-9/h2-7H,8H2,1H3
InChI Key:
QSPYQLAINYEZKO-UHFFFAOYSA-N
SMILES:
O=C(C1(C)OC1)/C=C/c1ccc(cc1)Br
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.122g/mol
Monoisotopic Mass:
265.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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