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1190311-51-3 | 1H-Pyrrolo[3,2-b]pyridin-3-amine, 6-(trifluoromethyl)-
CAS No: 1190311-51-3 Catalog No: AG000HH6 MDL No:
Product Description
Catalog Number:
AG000HH6
Chemical Name:
1H-Pyrrolo[3,2-b]pyridin-3-amine, 6-(trifluoromethyl)-
CAS Number:
1190311-51-3
Molecular Formula:
C8H6F3N3
Molecular Weight:
201.1485
IUPAC Name:
6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-3-amine
InChI:
InChI=1S/C8H6F3N3/c9-8(10,11)4-1-6-7(14-2-4)5(12)3-13-6/h1-3,13H,12H2
InChI Key:
HSMBCWNIFJALKL-UHFFFAOYSA-N
SMILES:
Nc1c[nH]c2c1ncc(c2)C(F)(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.152g/mol
Monoisotopic Mass:
201.051g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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