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Home > Nitro Compounds > 106579-00-4
106579-00-4 | 5-Methoxy-2-methyl-4-nitroaniline
CAS No: 106579-00-4 Catalog No: AG003MTY MDL No:MFCD00010136
Product Description
Catalog Number:
AG003MTY
Chemical Name:
5-Methoxy-2-methyl-4-nitroaniline
CAS Number:
106579-00-4
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD00010136
IUPAC Name:
5-methoxy-2-methyl-4-nitroaniline
InChI:
InChI=1S/C8H10N2O3/c1-5-3-7(10(11)12)8(13-2)4-6(5)9/h3-4H,9H2,1-2H3
InChI Key:
PEIGETRPPZVBHT-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1[N+](=O)[O-])C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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