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Home > Fluorides > 1379223-03-6
1379223-03-6 | 3-(2,3,4-trifluorophenoxy)propanenitrile
CAS No: 1379223-03-6 Catalog No: AG00NYEG MDL No:MFCD18911387
Product Description
Catalog Number:
AG00NYEG
Chemical Name:
3-(2,3,4-trifluorophenoxy)propanenitrile
CAS Number:
1379223-03-6
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD18911387
IUPAC Name:
3-(2,3,4-trifluorophenoxy)propanenitrile
InChI:
InChI=1S/C9H6F3NO/c10-6-2-3-7(9(12)8(6)11)14-5-1-4-13/h2-3H,1,5H2
InChI Key:
YCMCDSRSQPUGII-UHFFFAOYSA-N
SMILES:
Fc1c(OCCC#N)ccc(c1F)F
Properties
Complexity:
227
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:
1.9
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