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1339640-22-0 | Cyclopentyl (3-chloro-4-fluorophenyl)methanol
CAS No: 1339640-22-0 Catalog No: AG01FAAP MDL No:
Product Description
Catalog Number:
AG01FAAP
Chemical Name:
Cyclopentyl (3-chloro-4-fluorophenyl)methanol
CAS Number:
1339640-22-0
Molecular Formula:
C12H14ClFO
Molecular Weight:
228.6904
IUPAC Name:
(3-chloro-4-fluorophenyl)-cyclopentylmethanol
InChI:
InChI=1S/C12H14ClFO/c13-10-7-9(5-6-11(10)14)12(15)8-3-1-2-4-8/h5-8,12,15H,1-4H2
InChI Key:
DHHKPQYMHFVQGD-UHFFFAOYSA-N
SMILES:
OC(c1ccc(c(c1)Cl)F)C1CCCC1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.691g/mol
Monoisotopic Mass:
228.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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