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Home > Nitro Compounds > 16021-01-5
16021-01-5 | 1H-Indene, 2-nitro-
CAS No: 16021-01-5 Catalog No: AG001RS8 MDL No:
Product Description
Catalog Number:
AG001RS8
Chemical Name:
1H-Indene, 2-nitro-
CAS Number:
16021-01-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
2-nitro-1H-indene
InChI:
InChI=1S/C9H7NO2/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChI Key:
QRGAOMCRFAUXHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=Cc2c(C1)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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