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Home > Nitro Compounds > 50741-92-9
50741-92-9 | 1-Methoxy-2-methyl-4-nitrobenzene
CAS No: 50741-92-9 Catalog No: AG003HN8 MDL No:MFCD07787583
Product Description
Catalog Number:
AG003HN8
Chemical Name:
1-Methoxy-2-methyl-4-nitrobenzene
CAS Number:
50741-92-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD07787583
IUPAC Name:
1-methoxy-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C8H9NO3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3
InChI Key:
QOZMIJZYJZQOBV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C)[N+](=O)[O-]
EC Number:
256-748-5
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:
2.6
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