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20027-87-6 | Naphthalene, 2,6-dimethyl-1-nitro-
CAS No: 20027-87-6 Catalog No: AG002CNJ MDL No:
Product Description
Catalog Number:
AG002CNJ
Chemical Name:
Naphthalene, 2,6-dimethyl-1-nitro-
CAS Number:
20027-87-6
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
2,6-dimethyl-1-nitronaphthalene
InChI:
InChI=1S/C12H11NO2/c1-8-3-6-11-10(7-8)5-4-9(2)12(11)13(14)15/h3-7H,1-2H3
InChI Key:
SIAZHPSJFVHCGZ-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)ccc(c2[N+](=O)[O-])C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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