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1190320-72-9 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-(trifluoromethyl)-
CAS No: 1190320-72-9 Catalog No: AG000HYL MDL No:
Product Description
Catalog Number:
AG000HYL
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-(trifluoromethyl)-
CAS Number:
1190320-72-9
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
IUPAC Name:
4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-13-7-6(5)4(3-14-7)8(15)16/h1-3H,(H,13,14)(H,15,16)
InChI Key:
QMWGGTKYEPMYDB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(ccn2)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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