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4-(benzyloxy)-2-nitroaniline

4-(benzyloxy)-2-nitroaniline

CAS: 26697-35-8

Formula: C13H12N2O3

SMILES: NC1=CC=C(OCC2=CC=CC=C2)C=C1[N+]([O-])=O

IUPAC: 4-(benzyloxy)-2-nitroaniline

InChI: InChI=1S/C13H12N2O3/c14-12-7-6-11(8-13(12)15(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9,14H2

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 4
Hydrogen Bond Donor Count 1
InChIKey JGVXQZRIRQLMHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.15
Topological Polar Surface Area 78.39
Polarizability 25.44
Ring Count 2
Rotatable Bond Count 4

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