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1190320-31-0 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS No: 1190320-31-0 Catalog No: AG000HWJ MDL No:MFCD12962607
Product Description
Catalog Number:
AG000HWJ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-(trifluoromethyl)-, methyl ester
CAS Number:
1190320-31-0
Molecular Formula:
C10H7F3N2O2
Molecular Weight:
244.1700
MDL Number:
MFCD12962607
IUPAC Name:
methyl 5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
InChI:
InChI=1S/C10H7F3N2O2/c1-17-9(16)7-4-15-8-6(7)2-5(3-14-8)10(11,12)13/h2-4H,1H3,(H,14,15)
InChI Key:
RVFKEFXJTGCINI-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(cn2)C(F)(F)F
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.173g/mol
Monoisotopic Mass:
244.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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