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898762-06-6 | 2-(4-Bromophenyl)ethyl cyclopropyl ketone
CAS No: 898762-06-6 Catalog No: AG01EYVU MDL No:
Product Description
Catalog Number:
AG01EYVU
Chemical Name:
2-(4-Bromophenyl)ethyl cyclopropyl ketone
CAS Number:
898762-06-6
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
3-(4-bromophenyl)-1-cyclopropylpropan-1-one
InChI:
InChI=1S/C12H13BrO/c13-11-6-1-9(2-7-11)3-8-12(14)10-4-5-10/h1-2,6-7,10H,3-5,8H2
InChI Key:
BYPQBLCBOPYJOI-UHFFFAOYSA-N
SMILES:
O=C(C1CC1)CCc1ccc(cc1)Br
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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