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2-methylpropyl 4-chloro-3,5-dinitrobenzoate

2-methylpropyl 4-chloro-3,5-dinitrobenzoate

CAS: 58263-53-9

Formula: C11H11ClN2O6

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

IUPAC: 2-methylpropyl 4-chloro-3,5-dinitrobenzoate

InChI: InChI=1S/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3

Composition: C (43.65%), H (3.66%), Cl (11.71%), N (9.26%), O (31.72%)

Molar Mass: 302.67

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 302.0305638
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey MHWMKXCBVGGVSX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.27
Topological Polar Surface Area 112.58
Polarizability 26.23
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS UnitPrice
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95% <5 Days 58263-53-9 $1,600.00-$2,970.00$1,600.00$2,120.00$2,970.00
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