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218449-99-1 | 1-(3,4-Difluorophenyl)-1-propanol
CAS No: 218449-99-1 Catalog No: AG01EUJ5 MDL No:
Product Description
Catalog Number:
AG01EUJ5
Chemical Name:
1-(3,4-Difluorophenyl)-1-propanol
CAS Number:
218449-99-1
Molecular Formula:
C9H10F2O
Molecular Weight:
172.1719
IUPAC Name:
1-(3,4-difluorophenyl)propan-1-ol
InChI:
InChI=1S/C9H10F2O/c1-2-9(12)6-3-4-7(10)8(11)5-6/h3-5,9,12H,2H2,1H3
InChI Key:
YODCHFWWRFXLGD-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)F)F)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.175g/mol
Monoisotopic Mass:
172.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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