Computed Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.576g/mol
Monoisotopic Mass:
164.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Synonyms
2-Chloro-4-formylbenzonitrile
101048-77-5
3-chloro-4-cyanobenzaldehyde
SCHEMBL5093266
GZELPDCDUYPUTD-UHFFFAOYSA-N
Benzonitrile, 2-chloro-4-formyl-
MFCD18392411
ZINC79045430
CS-0047137
3411-03-8