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139778-75-9 | Benzoyl chloride, 4-(4-oxocyclohexyl)-
CAS No: 139778-75-9 Catalog No: AG001BP6 MDL No:
Product Description
Catalog Number:
AG001BP6
Chemical Name:
Benzoyl chloride, 4-(4-oxocyclohexyl)-
CAS Number:
139778-75-9
Molecular Formula:
C13H13ClO2
Molecular Weight:
236.6941
IUPAC Name:
4-(4-oxocyclohexyl)benzoyl chloride
InChI:
InChI=1S/C13H13ClO2/c14-13(16)11-3-1-9(2-4-11)10-5-7-12(15)8-6-10/h1-4,10H,5-8H2
InChI Key:
LYOXTSKUEXXZSG-UHFFFAOYSA-N
SMILES:
O=C1CCC(CC1)c1ccc(cc1)C(=O)Cl
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.695g/mol
Monoisotopic Mass:
236.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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