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4-tert-butyl-3-nitroaniline hydrochloride

4-tert-butyl-3-nitroaniline hydrochloride

CAS: 6310-20-9

Formula: C10H15ClN2O2

SMILES: Cl.CC(C)(C)C1=C(C=C(N)C=C1)[N+]([O-])=O

IUPAC: 4-tert-butyl-3-nitroaniline hydrochloride

InChI: InChI=1S/C10H14N2O2.ClH/c1-10(2,3)8-5-4-7(11)6-9(8)12(13)14;/h4-6H,11H2,1-3H3;1H

Composition: C (52.07%), H (6.55%), Cl (15.37%), N (12.14%), O (13.87%)

Molar Mass: 230.69

Atom Count: 30

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 230.0822054
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RIKNDFQMIDRATL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.74
Topological Polar Surface Area 69.16
Polarizability 20.62
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 6310-20-9 $189.75-$345.00$189.75$345.00
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