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Home > Aldehydes > 1167056-97-4
1167056-97-4 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 3-nitro-
CAS No: 1167056-97-4 Catalog No: AG000D4B MDL No:MFCD12405107
Product Description
Catalog Number:
AG000D4B
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 3-nitro-
CAS Number:
1167056-97-4
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD12405107
IUPAC Name:
3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C8H5N3O3/c12-4-5-1-6-7(11(13)14)3-10-8(6)9-2-5/h1-4H,(H,9,10)
InChI Key:
XBJMFAKMBOBPPO-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)c(c[nH]2)[N+](=O)[O-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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