Computed Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.168g/mol
Monoisotopic Mass:
211.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Synonyms
3-[4-(difluoromethoxy)phenyl]-3-oxopropanenitrile
1017036-63-3
Benzenepropanenitrile, 4-(difluoromethoxy)-beta-oxo-
SCHEMBL2092444
JDPFZHZAERTCDV-UHFFFAOYSA-N
ZINC19472210
AKOS000177998
BBV-070360
NE40444
EN300-126927
3-(4-Difluoromethoxy-phenyl)-3-oxo-propionitrile
