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Home > Nitro Compounds > 1190322-31-6
1190322-31-6 | 1H-Pyrrolo[2,3-b]pyridine, 5-methoxy-3-nitro-
CAS No: 1190322-31-6 Catalog No: AG000I0T MDL No:
Product Description
Catalog Number:
AG000I0T
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 5-methoxy-3-nitro-
CAS Number:
1190322-31-6
Molecular Formula:
C8H7N3O3
Molecular Weight:
193.1595
IUPAC Name:
5-methoxy-3-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7N3O3/c1-14-5-2-6-7(11(12)13)4-10-8(6)9-3-5/h2-4H,1H3,(H,9,10)
InChI Key:
BWZOADKSXOIMKS-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)c(c[nH]2)[N+](=O)[O-]
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.162g/mol
Monoisotopic Mass:
193.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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