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102580-67-6 | Ethanone, 1-(4-chlorophenyl)-2-cyclobutyl-
CAS No: 102580-67-6 Catalog No: AG0007SZ MDL No:
Product Description
Catalog Number:
AG0007SZ
Chemical Name:
Ethanone, 1-(4-chlorophenyl)-2-cyclobutyl-
CAS Number:
102580-67-6
Molecular Formula:
C12H13ClO
Molecular Weight:
208.6840
IUPAC Name:
1-(4-chlorophenyl)-2-cyclobutylethanone
InChI:
InChI=1S/C12H13ClO/c13-11-6-4-10(5-7-11)12(14)8-9-2-1-3-9/h4-7,9H,1-3,8H2
InChI Key:
IQZRCWGUAHAXKW-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)CC1CCC1
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.685g/mol
Monoisotopic Mass:
208.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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