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Home > Nitro Compounds > 832716-14-0
832716-14-0 | 2H-Azirine, 3-methyl-2-(4-nitro-1-naphthalenyl)-
CAS No: 832716-14-0 Catalog No: AG004TU2 MDL No:
Product Description
Catalog Number:
AG004TU2
Chemical Name:
2H-Azirine, 3-methyl-2-(4-nitro-1-naphthalenyl)-
CAS Number:
832716-14-0
Molecular Formula:
C13H10N2O2
Molecular Weight:
226.2307
IUPAC Name:
3-methyl-2-(4-nitronaphthalen-1-yl)-2H-azirine
InChI:
InChI=1S/C13H10N2O2/c1-8-13(14-8)11-6-7-12(15(16)17)10-5-3-2-4-9(10)11/h2-7,13H,1H3
InChI Key:
UDDIDODFTPQOPR-UHFFFAOYSA-N
SMILES:
CC1=NC1c1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.235g/mol
Monoisotopic Mass:
226.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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