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4-bromo-N-tert-butyl-5-ethoxy-2-nitroaniline

4-bromo-N-tert-butyl-5-ethoxy-2-nitroaniline

CAS: 1280786-66-4

Formula: C12H17BrN2O3

SMILES: CCOC1=CC(NC(C)(C)C)=C(C=C1Br)[N+]([O-])=O

IUPAC: 4-bromo-N-tert-butyl-5-ethoxy-2-nitroaniline

InChI: InChI=1S/C12H17BrN2O3/c1-5-18-11-7-9(14-12(2,3)4)10(15(16)17)6-8(11)13/h6-7,14H,5H2,1-4H3

Composition: C (45.44%), H (5.40%), Br (25.19%), N (8.83%), O (15.13%)

Molar Mass: 317.183

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 316.042255
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HXTPJLMWDWBTNX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.21
Topological Polar Surface Area 64.4
Polarizability 27.95
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1280786-66-4 $218.50-$1,305.25$218.50$491.05$1,305.25
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