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N-[(4-aminophenyl)methyl]-2-nitroaniline

N-[(4-aminophenyl)methyl]-2-nitroaniline

CAS: 1221792-11-5

Formula: C13H13N3O2

SMILES: NC1=CC=C(CNC2=C(C=CC=C2)[N+]([O-])=O)C=C1

IUPAC: N-[(4-aminophenyl)methyl]-2-nitroaniline

InChI: InChI=1S/C13H13N3O2/c14-11-7-5-10(6-8-11)9-15-12-3-1-2-4-13(12)16(17)18/h1-8,15H,9,14H2

Composition: C (64.19%), H (5.39%), N (17.27%), O (13.15%)

Molar Mass: 243.266

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 243.100776671
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey QEAGCPNOFGQAGP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.89
Topological Polar Surface Area 81.19
Polarizability 25.9
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 1221792-11-5 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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