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1171920-15-2 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)-
CAS No: 1171920-15-2 Catalog No: AG000DVX MDL No:MFCD12922778
Product Description
Catalog Number:
AG000DVX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)-
CAS Number:
1171920-15-2
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD12922778
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-5-6(8(15)16)3-14-7(5)13-2-4/h1-3H,(H,13,14)(H,15,16)
InChI Key:
RYRSBBCTBCSZAK-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1cc(cn2)C(F)(F)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.146g/mol
Monoisotopic Mass:
230.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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