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Home > Indoles and Oxindole > 6453-23-2
6453-23-2 | 9H-Pyrido[3,4-b]indole, 6-nitro-
CAS No: 6453-23-2 Catalog No: AG00H6EG MDL No:
Product Description
Catalog Number:
AG00H6EG
Chemical Name:
9H-Pyrido[3,4-b]indole, 6-nitro-
CAS Number:
6453-23-2
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
6-nitro-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C11H7N3O2/c15-14(16)7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10/h1-6,13H
InChI Key:
OMKXGOVZKHGTEL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c1ccncc1[nH]2
NSC Number:
248002
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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