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1190316-46-1 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-methyl-3-nitro-, methyl ester
CAS No: 1190316-46-1 Catalog No: AG000P4S MDL No:
Product Description
Catalog Number:
AG000P4S
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 4-methyl-3-nitro-, methyl ester
CAS Number:
1190316-46-1
Molecular Formula:
C10H9N3O4
Molecular Weight:
235.1962
IUPAC Name:
methyl 4-methyl-3-nitro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
InChI:
InChI=1S/C10H9N3O4/c1-5-6(10(14)17-2)3-11-9-8(5)7(4-12-9)13(15)16/h3-4H,1-2H3,(H,11,12)
InChI Key:
KYVYJGJWOZKAQP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1c(C)c(cn2)C(=O)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.199g/mol
Monoisotopic Mass:
235.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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