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2-bromo-4-tert-butyl-1-nitrobenzene

2-bromo-4-tert-butyl-1-nitrobenzene

Formula: C10H12BrNO2

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

IUPAC: 2-bromo-4-tert-butyl-1-nitrobenzene

InChI: InChI=1S/C10H12BrNO2/c1-10(2,3)7-4-5-9(12(13)14)8(11)6-7/h4-6H,1-3H3

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 257.005142
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XINQWMIKGSAKIX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.67
Topological Polar Surface Area 43.14
Polarizability 22.33
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C10H12BrNO2 Quote Only