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Home > Aldehydes > 1135283-53-2
1135283-53-2 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-(trifluoromethyl)-
CAS No: 1135283-53-2 Catalog No: AG0008WX MDL No:MFCD11841013
Product Description
Catalog Number:
AG0008WX
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-(trifluoromethyl)-
CAS Number:
1135283-53-2
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
MDL Number:
MFCD11841013
IUPAC Name:
5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)6-1-7-5(4-15)2-13-8(7)14-3-6/h1-4H,(H,13,14)
InChI Key:
KZSQRUZLWCOUOV-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(cn2)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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