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885323-01-3 | 2-Cyclopenten-1-one,3-(3-bromophenyl)-
CAS No: 885323-01-3 Catalog No: AG00458F MDL No:
Product Description
Catalog Number:
AG00458F
Chemical Name:
2-Cyclopenten-1-one,3-(3-bromophenyl)-
CAS Number:
885323-01-3
Molecular Formula:
C11H9BrO
Molecular Weight:
237.0926
IUPAC Name:
3-(3-bromophenyl)cyclopent-2-en-1-one
InChI:
InChI=1S/C11H9BrO/c12-10-3-1-2-8(6-10)9-4-5-11(13)7-9/h1-3,6-7H,4-5H2
InChI Key:
YVWVXDNYUQMCDE-UHFFFAOYSA-N
SMILES:
O=C1CCC(=C1)c1cccc(c1)Br
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.096g/mol
Monoisotopic Mass:
235.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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