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Home > Nitro Compounds > 119-10-8
119-10-8 | 1-Methoxy-4-methyl-2-nitrobenzene
CAS No: 119-10-8 Catalog No: AG003LQ3 MDL No:MFCD00024540
Product Description
Catalog Number:
AG003LQ3
Chemical Name:
1-Methoxy-4-methyl-2-nitrobenzene
CAS Number:
119-10-8
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00024540
IUPAC Name:
1-methoxy-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3
InChI Key:
LGNMURXRPLMVJI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C
EC Number:
204-296-4
UNII:
3B4205T5ZM
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
Literature
| Title | Journal |
|---|---|
| 1-Dibromo-methyl-4-meth-oxy-2-nitro-benzene. | Acta crystallographica. Section E, Structure reports online 20090901 |
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