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Home > Aldehydes > 1190320-65-0
1190320-65-0 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-(trifluoromethyl)-
CAS No: 1190320-65-0 Catalog No: AG000HXA MDL No:
Product Description
Catalog Number:
AG000HXA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-(trifluoromethyl)-
CAS Number:
1190320-65-0
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
IUPAC Name:
4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-2-13-8-7(6)5(4-15)3-14-8/h1-4H,(H,13,14)
InChI Key:
GUXCPXQMTRHCEV-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(ccn2)C(F)(F)F
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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