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784144-05-4 | 5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS No: 784144-05-4 Catalog No: AG0039YB MDL No:MFCD15529028
Product Description
Catalog Number:
AG0039YB
Chemical Name:
5-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
CAS Number:
784144-05-4
Molecular Formula:
C9H5F3N2O2
Molecular Weight:
230.1434
MDL Number:
MFCD15529028
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-4-2-6(8(15)16)14-7(4)13-3-5/h1-3H,(H,13,14)(H,15,16)
InChI Key:
FBBGQODGGJJBTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ncc(c2)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:
2.1
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