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Home > Fluorides > 1020063-01-7
1020063-01-7 | 1,3-Benzenedicarbonitrile, 4-(trifluoromethoxy)-
CAS No: 1020063-01-7 Catalog No: AG0006B3 MDL No:MFCD08459281
Product Description
Catalog Number:
AG0006B3
Chemical Name:
1,3-Benzenedicarbonitrile, 4-(trifluoromethoxy)-
CAS Number:
1020063-01-7
Molecular Formula:
C9H3F3N2O
Molecular Weight:
212.1281
MDL Number:
MFCD08459281
IUPAC Name:
4-(trifluoromethoxy)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C9H3F3N2O/c10-9(11,12)15-8-2-1-6(4-13)3-7(8)5-14/h1-3H
InChI Key:
GXUUIQAZCMELCG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)ccc1OC(F)(F)F
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.02g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.131g/mol
Monoisotopic Mass:
212.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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