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3-(4-chloro-2-methylphenoxy)-5-nitroaniline

3-(4-chloro-2-methylphenoxy)-5-nitroaniline

CAS: 832737-41-4

Formula: C13H11ClN2O3

SMILES: CC1=C(OC2=CC(=CC(N)=C2)[N+]([O-])=O)C=CC(Cl)=C1

IUPAC: 3-(4-chloro-2-methylphenoxy)-5-nitroaniline

InChI: InChI=1S/C13H11ClN2O3/c1-8-4-9(14)2-3-13(8)19-12-6-10(15)5-11(7-12)16(17)18/h2-7H,15H2,1H3

Composition: C (56.03%), H (3.98%), Cl (12.72%), N (10.05%), O (17.22%)

Molar Mass: 278.69

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 278.0458199
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AFEXWGYVPLBGCW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.17
Topological Polar Surface Area 78.39
Polarizability 27.32
Ring Count 2
Rotatable Bond Count 3

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