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1000561-02-3 | 3,4-Difluoro-5-methoxyphenethyl alcohol
CAS No: 1000561-02-3 Catalog No: AG01FC5R MDL No:
Product Description
Catalog Number:
AG01FC5R
Chemical Name:
3,4-Difluoro-5-methoxyphenethyl alcohol
CAS Number:
1000561-02-3
Molecular Formula:
C9H10F2O2
Molecular Weight:
188.1713
IUPAC Name:
2-(3,4-difluoro-5-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H10F2O2/c1-13-8-5-6(2-3-12)4-7(10)9(8)11/h4-5,12H,2-3H2,1H3
InChI Key:
PAQVHJGMGKLKSH-UHFFFAOYSA-N
SMILES:
OCCc1cc(OC)c(c(c1)F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.174g/mol
Monoisotopic Mass:
188.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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