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115437-03-1 | Ethanone, 1-[1-(chloromethyl)cyclohexyl]-
CAS No: 115437-03-1 Catalog No: AG000FZQ MDL No:
Product Description
Catalog Number:
AG000FZQ
Chemical Name:
Ethanone, 1-[1-(chloromethyl)cyclohexyl]-
CAS Number:
115437-03-1
Molecular Formula:
C9H15ClO
Molecular Weight:
174.6678
IUPAC Name:
1-[1-(chloromethyl)cyclohexyl]ethanone
InChI:
InChI=1S/C9H15ClO/c1-8(11)9(7-10)5-3-2-4-6-9/h2-7H2,1H3
InChI Key:
AJLLXUSDKMCSKC-UHFFFAOYSA-N
SMILES:
ClCC1(CCCCC1)C(=O)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.081g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.668g/mol
Monoisotopic Mass:
174.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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