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Home > Nitro Compounds > 67545-39-5
67545-39-5 | Naphthalene, 1-methoxy-2-methyl-4-nitro-
CAS No: 67545-39-5 Catalog No: AG005MNF MDL No:
Product Description
Catalog Number:
AG005MNF
Chemical Name:
Naphthalene, 1-methoxy-2-methyl-4-nitro-
CAS Number:
67545-39-5
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
IUPAC Name:
1-methoxy-2-methyl-4-nitronaphthalene
InChI:
InChI=1S/C12H11NO3/c1-8-7-11(13(14)15)9-5-3-4-6-10(9)12(8)16-2/h3-7H,1-2H3
InChI Key:
RDSZAFTZNZZBIU-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(c2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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