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Home > Nitro Compounds > 832740-86-0
832740-86-0 | 3-(4-methylphenoxy)-5-nitroaniline
CAS No: 832740-86-0 Catalog No: AG00JEBY MDL No:MFCD03422521
Product Description
Catalog Number:
AG00JEBY
Chemical Name:
3-(4-methylphenoxy)-5-nitroaniline
CAS Number:
832740-86-0
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD03422521
IUPAC Name:
3-(4-methylphenoxy)-5-nitroaniline
InChI:
InChI=1S/C13H12N2O3/c1-9-2-4-12(5-3-9)18-13-7-10(14)6-11(8-13)15(16)17/h2-8H,14H2,1H3
InChI Key:
KJBYENUMKKEWJZ-UHFFFAOYSA-N
SMILES:
Nc1cc(Oc2ccc(cc2)C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
285
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
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