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Home > Nitro Compounds > 5345-42-6
5345-42-6 | 1-Methoxy-3-methyl-2-nitrobenzene
CAS No: 5345-42-6 Catalog No: AG003JP8 MDL No:MFCD00007179
Product Description
Catalog Number:
AG003JP8
Chemical Name:
1-Methoxy-3-methyl-2-nitrobenzene
CAS Number:
5345-42-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00007179
IUPAC Name:
1-methoxy-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3
InChI Key:
MGBRGNWARSQECY-UHFFFAOYSA-N
SMILES:
COc1cccc(c1[N+](=O)[O-])C
EC Number:
226-295-8
NSC Number:
3040
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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