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1- (2-chlorophenyl) cyclopentanol

CAT: 0127-OR1080800-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1080800-01Size:250 mg
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CAS Number
1179902-88-5
MDL Number
MFCD12780192
Purity
95%
Smiles
OC1 (CCCC1) c1c (Cl) cccc1

Chemical Information

1-(2-Chlorophenyl)cyclopentanol
CAS Number1179902-88-5
PubChem CID61029798
IUPAC Name1-(2-chlorophenyl)cyclopentan-1-ol
Molecular FormulaC11H13ClO
Molecular Weight196.67
XLogP2.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity175
SMILES
C1CCC(C1)(C2=CC=CC=C2Cl)O
InChI
InChI=1S/C11H13ClO/c12-10-6-2-1-5-9(10)11(13)7-3-4-8-11/h1-2,5-6,13H,3-4,7-8H2
InChIKey
URMFETBGTGZBQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Chlorophenyl)cyclopentanol
CAS: 1179902-88-5
CID: 61029798
Formula: C11H13ClO
MW: 196.67
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight196.67
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass196.0654927
Monoisotopic Mass196.0654927
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity175
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes