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113675-15-3 | 2-Propen-1-one, 3-(4-bromophenyl)-1-(2,3-dimethyl-2-oxiranyl)-
CAS No: 113675-15-3 Catalog No: AG00099C MDL No:
Product Description
Catalog Number:
AG00099C
Chemical Name:
2-Propen-1-one, 3-(4-bromophenyl)-1-(2,3-dimethyl-2-oxiranyl)-
CAS Number:
113675-15-3
Molecular Formula:
C13H13BrO2
Molecular Weight:
281.1451
IUPAC Name:
3-(4-bromophenyl)-1-(2,3-dimethyloxiran-2-yl)prop-2-en-1-one
InChI:
InChI=1S/C13H13BrO2/c1-9-13(2,16-9)12(15)8-5-10-3-6-11(14)7-4-10/h3-9H,1-2H3
InChI Key:
VZAQCPPALSJCEM-UHFFFAOYSA-N
SMILES:
CC1OC1(C)C(=O)C=Cc1ccc(cc1)Br
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.149g/mol
Monoisotopic Mass:
280.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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