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823787-23-1 | Cycloheptanone, 2-(2-bromophenyl)-
CAS No: 823787-23-1 Catalog No: AG0053F9 MDL No:
Product Description
Catalog Number:
AG0053F9
Chemical Name:
Cycloheptanone, 2-(2-bromophenyl)-
CAS Number:
823787-23-1
Molecular Formula:
C13H15BrO
Molecular Weight:
267.1616
IUPAC Name:
2-(2-bromophenyl)cycloheptan-1-one
InChI:
InChI=1S/C13H15BrO/c14-12-8-5-4-6-10(12)11-7-2-1-3-9-13(11)15/h4-6,8,11H,1-3,7,9H2
InChI Key:
WLTNZVINUCENTB-UHFFFAOYSA-N
SMILES:
O=C1CCCCCC1c1ccccc1Br
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.166g/mol
Monoisotopic Mass:
266.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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