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1268521-59-0 | Furo[3,2-b]pyridine-6-carbonitrile, 7-chloro-5-(trifluoromethyl)-
CAS No: 1268521-59-0 Catalog No: AG000TD7 MDL No:
Product Description
Catalog Number:
AG000TD7
Chemical Name:
Furo[3,2-b]pyridine-6-carbonitrile, 7-chloro-5-(trifluoromethyl)-
CAS Number:
1268521-59-0
Molecular Formula:
C9H2ClF3N2O
Molecular Weight:
246.5732
IUPAC Name:
7-chloro-5-(trifluoromethyl)furo[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C9H2ClF3N2O/c10-6-4(3-14)8(9(11,12)13)15-5-1-2-16-7(5)6/h1-2H
InChI Key:
QUVRXCZMOUEPEC-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)c2occc2nc1C(F)(F)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.573g/mol
Monoisotopic Mass:
245.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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