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3,3-dimethyl-1-[2-(2-nitroethyl)phenyl]urea

3,3-dimethyl-1-[2-(2-nitroethyl)phenyl]urea

CAS: 339111-00-1

Formula: C11H15N3O3

SMILES: CN(C)C(=O)NC1=C(CC[N+]([O-])=O)C=CC=C1

IUPAC: 3,3-dimethyl-1-[2-(2-nitroethyl)phenyl]urea

InChI: InChI=1S/C11H15N3O3/c1-13(2)11(15)12-10-6-4-3-5-9(10)7-8-14(16)17/h3-6H,7-8H2,1-2H3,(H,12,15)

Composition: C (55.69%), H (6.37%), N (17.71%), O (20.23%)

Molar Mass: 237.259

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 237.111341355
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SQOKFACLDGDZMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.28
Topological Polar Surface Area 75.48
Polarizability 23.81
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339111-00-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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