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157021-61-9 | Benzonitrile, 2,6-dichloro-4-(trifluoromethyl)-
CAS No: 157021-61-9 Catalog No: AG001P55 MDL No:MFCD00220879
Product Description
Catalog Number:
AG001P55
Chemical Name:
Benzonitrile, 2,6-dichloro-4-(trifluoromethyl)-
CAS Number:
157021-61-9
Molecular Formula:
C8H2Cl2F3N
Molecular Weight:
240.0094
MDL Number:
MFCD00220879
IUPAC Name:
2,6-dichloro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H
InChI Key:
NCXSSFQXQAOREM-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cc(cc1Cl)C(F)(F)F
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.952g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.006g/mol
Monoisotopic Mass:
238.952g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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