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1273705-28-4 | Cycloheptyl (2,5-difluorophenyl)methanol
CAS No: 1273705-28-4 Catalog No: AG01FBXX MDL No:
Product Description
Catalog Number:
AG01FBXX
Chemical Name:
Cycloheptyl (2,5-difluorophenyl)methanol
CAS Number:
1273705-28-4
Molecular Formula:
C14H18F2O
Molecular Weight:
240.2889
IUPAC Name:
cycloheptyl-(2,5-difluorophenyl)methanol
InChI:
InChI=1S/C14H18F2O/c15-11-7-8-13(16)12(9-11)14(17)10-5-3-1-2-4-6-10/h7-10,14,17H,1-6H2
InChI Key:
MBKPIYQJZQBKFQ-UHFFFAOYSA-N
SMILES:
OC(c1cc(F)ccc1F)C1CCCCCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.294g/mol
Monoisotopic Mass:
240.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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