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Trans-2-Chlorocyclopentanol

CAT: 0127-OR1054112Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1054112Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20377-80-4
MDL Number
MFCD30718743
Purity
95%
Smiles
O[C@H]1[C@H](Cl)CCC1

Chemical Information

AG-E-49353
CAS Number20377-80-4
PubChem CID12167273
IUPAC Namecis-(1S,2R)-2-chlorocyclopentan-1-ol
Molecular FormulaC5H9ClO
Molecular Weight120.58
XLogP1.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity65
SMILES
C1C[C@@H]([C@@H](C1)Cl)O
InChI
InChI=1S/C5H9ClO/c6-4-2-1-3-5(4)7/h4-5,7H,1-3H2/t4-,5+/m1/s1
InChIKey
MCCNFMGRUXKBFV-UHNVWZDZSA-N
Chemical Structure
2D Structure
2D structure of AG-E-49353
CAS: 20377-80-4
CID: 12167273
Formula: C5H9ClO
MW: 120.58
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight120.58
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass120.0341926
Monoisotopic Mass120.0341926
Topological Polar Surface Area20.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity65.1
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes