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Home > Nitro Compounds > 704877-30-5
704877-30-5 | 2,4-Dimethoxy-3-methyl-5-nitroaniline
CAS No: 704877-30-5 Catalog No: AG00J9Y3 MDL No:MFCD05858391
Product Description
Catalog Number:
AG00J9Y3
Chemical Name:
2,4-Dimethoxy-3-methyl-5-nitroaniline
CAS Number:
704877-30-5
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
MDL Number:
MFCD05858391
IUPAC Name:
2,4-dimethoxy-3-methyl-5-nitroaniline
InChI:
InChI=1S/C9H12N2O4/c1-5-8(14-2)6(10)4-7(11(12)13)9(5)15-3/h4H,10H2,1-3H3
InChI Key:
LXVCBARZMZHCJB-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1C)OC)N)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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