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100447-42-5 | 1H-Benzimidazole-1-propanenitrile, 6-chloro-2-(trifluoromethyl)-
CAS No: 100447-42-5 Catalog No: AG000205 MDL No:
Product Description
Catalog Number:
AG000205
Chemical Name:
1H-Benzimidazole-1-propanenitrile, 6-chloro-2-(trifluoromethyl)-
CAS Number:
100447-42-5
Molecular Formula:
C11H7ClF3N3
Molecular Weight:
273.6416
IUPAC Name:
3-[6-chloro-2-(trifluoromethyl)benzimidazol-1-yl]propanenitrile
InChI:
InChI=1S/C11H7ClF3N3/c12-7-2-3-8-9(6-7)18(5-1-4-16)10(17-8)11(13,14)15/h2-3,6H,1,5H2
InChI Key:
AJPZCTSYFUBAHN-UHFFFAOYSA-N
SMILES:
N#CCCn1c(nc2c1cc(Cl)cc2)C(F)(F)F
NSC Number:
135987
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.643g/mol
Monoisotopic Mass:
273.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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