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1260897-26-4 | 1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 7-chloro-2-ethyl-5-(trifluoromethyl)-
CAS No: 1260897-26-4 Catalog No: AG000RKE MDL No:
Product Description
Catalog Number:
AG000RKE
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 7-chloro-2-ethyl-5-(trifluoromethyl)-
CAS Number:
1260897-26-4
Molecular Formula:
C11H7ClF3N3
Molecular Weight:
273.6416
IUPAC Name:
7-chloro-2-ethyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C11H7ClF3N3/c1-2-5-3-7-9(17-5)8(12)6(4-16)10(18-7)11(13,14)15/h3,17H,2H2,1H3
InChI Key:
QAEFDOZUMBXAQW-UHFFFAOYSA-N
SMILES:
CCc1cc2c([nH]1)c(Cl)c(c(n2)C(F)(F)F)C#N
Properties
Complexity:
364
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:
1
Isotope Atom Count:
0
Molecular Weight:
273.643g/mol
Monoisotopic Mass:
273.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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