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1225687-12-6 | Cyclopentyl (2-chloro-6-fluorophenyl)methanol
CAS No: 1225687-12-6 Catalog No: AG01FA9E MDL No:
Product Description
Catalog Number:
AG01FA9E
Chemical Name:
Cyclopentyl (2-chloro-6-fluorophenyl)methanol
CAS Number:
1225687-12-6
Molecular Formula:
C12H14ClFO
Molecular Weight:
228.6904
IUPAC Name:
(2-chloro-6-fluorophenyl)-cyclopentylmethanol
InChI:
InChI=1S/C12H14ClFO/c13-9-6-3-7-10(14)11(9)12(15)8-4-1-2-5-8/h3,6-8,12,15H,1-2,4-5H2
InChI Key:
NGXVMLKUXITRAL-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1C(C1CCCC1)O)Cl
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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