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1000343-12-3

1000343-12-3 | 1H-Indol-6-amine, 5-nitro-

CAS No: 1000343-12-3 Catalog No: AG0000KZ MDL No:

Product Description

Catalog Number:
AG0000KZ
Chemical Name:
1H-Indol-6-amine, 5-nitro-
CAS Number:
1000343-12-3
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
5-nitro-1H-indol-6-amine
InChI:
InChI=1S/C8H7N3O2/c9-6-4-7-5(1-2-10-7)3-8(6)11(12)13/h1-4,10H,9H2
InChI Key:
YXNHJBUZBCFMST-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc[nH]c2cc1N

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
177.163g/mol
Monoisotopic Mass:
177.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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