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Home > Indoles and Oxindole > 99208-91-0
99208-91-0 | N(1)-NITROSO-3-NITROMETHYLINDOLE
CAS No: 99208-91-0 Catalog No: AG006OR3 MDL No:
Product Description
Catalog Number:
AG006OR3
Chemical Name:
N(1)-NITROSO-3-NITROMETHYLINDOLE
CAS Number:
99208-91-0
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
IUPAC Name:
3-(nitromethyl)-1-nitrosoindole
InChI:
InChI=1S/C9H7N3O3/c13-10-11-5-7(6-12(14)15)8-3-1-2-4-9(8)11/h1-5H,6H2
InChI Key:
YSDDQRUOEFOQBD-UHFFFAOYSA-N
SMILES:
O=Nn1cc(c2c1cccc2)C[N+](=O)[O-]
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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