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Home > Fluorides > 1261862-28-5
1261862-28-5 | Benzeneacetonitrile, 2-(difluoromethoxy)-6-fluoro-
CAS No: 1261862-28-5 Catalog No: AG000S2E MDL No:
Product Description
Catalog Number:
AG000S2E
Chemical Name:
Benzeneacetonitrile, 2-(difluoromethoxy)-6-fluoro-
CAS Number:
1261862-28-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
IUPAC Name:
2-[2-(difluoromethoxy)-6-fluorophenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-7-2-1-3-8(14-9(11)12)6(7)4-5-13/h1-3,9H,4H2
InChI Key:
ZQHBUHMKIBVHBI-UHFFFAOYSA-N
SMILES:
N#CCc1c(cccc1F)OC(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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