4-chloro-2,6-difluorobenzonitrile


Chemical Name: 4-chloro-2,6-difluorobenzonitrile
CAS Number: 886500-41-0
Product Number: AG00GY5W(AGN-PC-01LRDC)
Synonyms:
MDL No:
Molecular Formula: C7H2ClF2N
Molecular Weight: 173.5473

Identification/Properties


Computed Properties
Molecular Weight:
173.547g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
172.984g/mol
Monoisotopic Mass:
172.984g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
176
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3439
Hazard Statements:
H302+H312-H315-H319-H331-H335
Precautionary Statements:
P261-P280-P305+P351+P338-P311
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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