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1214345-16-0 | Benzonitrile, 3-chloro-2-(trifluoromethyl)-
CAS No: 1214345-16-0 Catalog No: AG0014UE MDL No:
Product Description
Catalog Number:
AG0014UE
Chemical Name:
Benzonitrile, 3-chloro-2-(trifluoromethyl)-
CAS Number:
1214345-16-0
Molecular Formula:
C8H3ClF3N
Molecular Weight:
205.5643
IUPAC Name:
3-chloro-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3ClF3N/c9-6-3-1-2-5(4-13)7(6)8(10,11)12/h1-3H
InChI Key:
LEDKNKPTNXENHI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C(F)(F)F)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.991g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.564g/mol
Monoisotopic Mass:
204.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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