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1000550-08-2 | Benzeneethanol, 2,6-difluoro-4-methoxy-
CAS No: 1000550-08-2 Catalog No: AG0000QI MDL No:MFCD09926400
Product Description
Catalog Number:
AG0000QI
Chemical Name:
Benzeneethanol, 2,6-difluoro-4-methoxy-
CAS Number:
1000550-08-2
Molecular Formula:
C9H10F2O2
Molecular Weight:
188.1713
MDL Number:
MFCD09926400
IUPAC Name:
2-(2,6-difluoro-4-methoxyphenyl)ethanol
InChI:
InChI=1S/C9H10F2O2/c1-13-6-4-8(10)7(2-3-12)9(11)5-6/h4-5,12H,2-3H2,1H3
InChI Key:
XMKIZHPNDGLWON-UHFFFAOYSA-N
SMILES:
OCCc1c(F)cc(cc1F)OC
Properties
Complexity:
143
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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