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1000536-10-6 | 2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
CAS No: 1000536-10-6 Catalog No: AG0000PO MDL No:MFCD09923755
Product Description
Catalog Number:
AG0000PO
Chemical Name:
2-PYRIDINEACETONITRILE, 4-(TRIFLUOROMETHYL)-
CAS Number:
1000536-10-6
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09923755
IUPAC Name:
2-[4-(trifluoromethyl)pyridin-2-yl]acetonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-4-13-7(5-6)1-3-12/h2,4-5H,1H2
InChI Key:
WHYZMJPCMMNSSR-UHFFFAOYSA-N
SMILES:
N#CCc1nccc(c1)C(F)(F)F
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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