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178393-13-0 | 2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-5-(trifluoromethyl)-
CAS No: 178393-13-0 Catalog No: AG0025ZA MDL No:
Product Description
Catalog Number:
AG0025ZA
Chemical Name:
2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-5-(trifluoromethyl)-
CAS Number:
178393-13-0
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
IUPAC Name:
5-(trifluoromethyl)-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
InChI:
InChI=1S/C8H5F3N2O/c9-8(10,11)6-2-1-4-5(12-6)3-7(14)13-4/h1-2H,3H2,(H,13,14)
InChI Key:
GGNWVODDZFVOMT-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)nc(cc2)C(F)(F)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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