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Home > Nitro Compounds > 13802-40-9
13802-40-9 | Naphthalene, 1-methoxy-3-nitro-
CAS No: 13802-40-9 Catalog No: AG0017UP MDL No:MFCD16658893
Product Description
Catalog Number:
AG0017UP
Chemical Name:
Naphthalene, 1-methoxy-3-nitro-
CAS Number:
13802-40-9
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD16658893
IUPAC Name:
1-methoxy-3-nitronaphthalene
InChI:
InChI=1S/C11H9NO3/c1-15-11-7-9(12(13)14)6-8-4-2-3-5-10(8)11/h2-7H,1H3
InChI Key:
BCAWRAILVSDAAU-UHFFFAOYSA-N
SMILES:
COc1cc(cc2c1cccc2)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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