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Home > Nitro Compounds > 23245-63-8
23245-63-8 | 1-Naphthalenecarbonitrile, 4-nitro-
CAS No: 23245-63-8 Catalog No: AG002MNH MDL No:
Product Description
Catalog Number:
AG002MNH
Chemical Name:
1-Naphthalenecarbonitrile, 4-nitro-
CAS Number:
23245-63-8
Molecular Formula:
C11H6N2O2
Molecular Weight:
198.1775
IUPAC Name:
4-nitronaphthalene-1-carbonitrile
InChI:
InChI=1S/C11H6N2O2/c12-7-8-5-6-11(13(14)15)10-4-2-1-3-9(8)10/h1-6H
InChI Key:
SNUJXDIAMQLCNX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.181g/mol
Monoisotopic Mass:
198.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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