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Home > Nitro Compounds > 208122-68-3
208122-68-3 | 3-(2-methylphenoxy)-5-nitroaniline
CAS No: 208122-68-3 Catalog No: AG00JEC0 MDL No:MFCD03422528
Product Description
Catalog Number:
AG00JEC0
Chemical Name:
3-(2-methylphenoxy)-5-nitroaniline
CAS Number:
208122-68-3
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD03422528
IUPAC Name:
3-(2-methylphenoxy)-5-nitroaniline
InChI:
InChI=1S/C13H12N2O3/c1-9-4-2-3-5-13(9)18-12-7-10(14)6-11(8-12)15(16)17/h2-8H,14H2,1H3
InChI Key:
MTIHNAVMAXBIKG-UHFFFAOYSA-N
SMILES:
Nc1cc(Oc2ccccc2C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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