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885267-04-9 | 2-Propen-1-one,3-(3-bromophenyl)-1-cyclobutyl-
CAS No: 885267-04-9 Catalog No: AG00474Z MDL No:
Product Description
Catalog Number:
AG00474Z
Chemical Name:
2-Propen-1-one,3-(3-bromophenyl)-1-cyclobutyl-
CAS Number:
885267-04-9
Molecular Formula:
C13H13BrO
Molecular Weight:
265.1457
IUPAC Name:
(E)-3-(3-bromophenyl)-1-cyclobutylprop-2-en-1-one
InChI:
InChI=1S/C13H13BrO/c14-12-6-1-3-10(9-12)7-8-13(15)11-4-2-5-11/h1,3,6-9,11H,2,4-5H2/b8-7+
InChI Key:
MYTJPPQBVCBLIN-BQYQJAHWSA-N
SMILES:
O=C(C1CCC1)C=Cc1cccc(c1)Br
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
264.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.15g/mol
Monoisotopic Mass:
264.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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