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1000340-24-8 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 6-methyl-5-nitro-
CAS No: 1000340-24-8 Catalog No: AG0000CW MDL No:
Product Description
Catalog Number:
AG0000CW
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 6-methyl-5-nitro-
CAS Number:
1000340-24-8
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
6-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C9H7N3O3/c1-5-8(12(14)15)2-7-6(4-13)3-10-9(7)11-5/h2-4H,1H3,(H,10,11)
InChI Key:
FUIUAEPXHQCUTG-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc([N+](=O)[O-])c(n2)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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