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5-(benzyloxy)-4-bromo-2-nitroaniline

5-(benzyloxy)-4-bromo-2-nitroaniline

CAS: 1255574-69-6

Formula: C13H11BrN2O3

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

IUPAC: 5-(benzyloxy)-4-bromo-2-nitroaniline

InChI: InChI=1S/C13H11BrN2O3/c14-10-6-12(16(17)18)11(15)7-13(10)19-8-9-4-2-1-3-5-9/h1-7H,8,15H2

Composition: C (48.32%), H (3.43%), Br (24.73%), N (8.67%), O (14.85%)

Molar Mass: 323.146

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 321.995305
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey DGOWGMXDNNTWKK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.78
Topological Polar Surface Area 78.39
Polarizability 28.3
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 1255574-69-6 $218.50-$1,305.25$218.50$491.05$1,305.25
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