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Home > Nitro Compounds > 1431698-08-6
1431698-08-6 | 3,4-dinitro-1H-pyrrolo[2,3-b]pyridine 7-oxide
CAS No: 1431698-08-6 Catalog No: AG00IM55 MDL No:
Product Description
Catalog Number:
AG00IM55
Chemical Name:
3,4-dinitro-1H-pyrrolo[2,3-b]pyridine 7-oxide
CAS Number:
1431698-08-6
Molecular Formula:
C7H4N4O5
Molecular Weight:
224.1305
IUPAC Name:
7-hydroxy-3,4-dinitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C7H4N4O5/c12-9-2-1-4(10(13)14)6-5(11(15)16)3-8-7(6)9/h1-3,12H
InChI Key:
LXSJSEDQQKLKLX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c2c1c(cc[n+]2[O-])[N+](=O)[O-]
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.132g/mol
Monoisotopic Mass:
224.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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