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1379367-44-8 | 3-(3-Chloro-4-fluorophenyl)-3-pentanol
CAS No: 1379367-44-8 Catalog No: AG01FCPI MDL No:
Product Description
Catalog Number:
AG01FCPI
Chemical Name:
3-(3-Chloro-4-fluorophenyl)-3-pentanol
CAS Number:
1379367-44-8
Molecular Formula:
C11H14ClFO
Molecular Weight:
216.6797
IUPAC Name:
3-(3-chloro-4-fluorophenyl)pentan-3-ol
InChI:
InChI=1S/C11H14ClFO/c1-3-11(14,4-2)8-5-6-10(13)9(12)7-8/h5-7,14H,3-4H2,1-2H3
InChI Key:
BATVEOYAGLBCHA-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)Cl)F)(CC)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.68g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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