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89278-00-2 | 2-Naphthaleneacetonitrile, 1-nitro-
CAS No: 89278-00-2 Catalog No: AG004107 MDL No:
Product Description
Catalog Number:
AG004107
Chemical Name:
2-Naphthaleneacetonitrile, 1-nitro-
CAS Number:
89278-00-2
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
2-(1-nitronaphthalen-2-yl)acetonitrile
InChI:
InChI=1S/C12H8N2O2/c13-8-7-10-6-5-9-3-1-2-4-11(9)12(10)14(15)16/h1-6H,7H2
InChI Key:
LDLAUIORAXTLOB-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1[N+](=O)[O-])cccc2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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