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128701-67-7 | 1H-Indol-5-amine, 2-nitro-
CAS No: 128701-67-7 Catalog No: AG000YBQ MDL No:
Product Description
Catalog Number:
AG000YBQ
Chemical Name:
1H-Indol-5-amine, 2-nitro-
CAS Number:
128701-67-7
Molecular Formula:
C8H7N3O2
Molecular Weight:
177.1601
IUPAC Name:
2-nitro-1H-indol-5-amine
InChI:
InChI=1S/C8H7N3O2/c9-6-1-2-7-5(3-6)4-8(10-7)11(12)13/h1-4,10H,9H2
InChI Key:
KFJZXUMKNUXJMV-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)cc([nH]2)[N+](=O)[O-]
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:
1.5
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