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3-(4-methylphenoxy)-5-nitroaniline

3-(4-methylphenoxy)-5-nitroaniline

CAS: 832740-86-0

Formula: C13H12N2O3

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

IUPAC: 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

Composition: C (63.93%), H (4.95%), N (11.47%), O (19.65%)

Molar Mass: 244.25

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.084792254
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KJBYENUMKKEWJZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.36
Topological Polar Surface Area 78.39
Polarizability 25.42
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 832740-86-0 $187.20$187.20
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