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874482-94-7 | Benzonitrile, 2-chloro-4-(trifluoromethoxy)-
CAS No: 874482-94-7 Catalog No: AG004KC1 MDL No:
Product Description
Catalog Number:
AG004KC1
Chemical Name:
Benzonitrile, 2-chloro-4-(trifluoromethoxy)-
CAS Number:
874482-94-7
Molecular Formula:
C8H3ClF3NO
Molecular Weight:
221.5637
IUPAC Name:
2-chloro-4-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H3ClF3NO/c9-7-3-6(14-8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key:
OZFIJIGOVVNMDI-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1Cl)OC(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.563g/mol
Monoisotopic Mass:
220.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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