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methyl 4-[({[(E)-(1,2-dichloroethylidene)amino]oxy}carbonyl)amino]benzoate

methyl 4-[({[(E)-(1,2-dichloroethylidene)amino]oxy}carbonyl)amino]benzoate

Formula: C11H10Cl2N2O4

SMILES: COC(=O)C1=CC=C(NC(=O)ON=C(Cl)CCl)C=C1

IUPAC: methyl 4-[({[(E)-(1,2-dichloroethylidene)amino]oxy}carbonyl)amino]benzoate

InChI: InChI=1S/C11H10Cl2N2O4/c1-18-10(16)7-2-4-8(5-3-7)14-11(17)19-15-9(13)6-12/h2-5H,6H2,1H3,(H,14,17)/b15-9+

Composition: C (43.30%), H (3.30%), Cl (23.24%), N (9.18%), O (20.97%)

Molar Mass: 305.11

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 304.0017622
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CXTVADJKWLVZLP-OQLLNIDSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.39
Topological Polar Surface Area 76.99
Polarizability 26.8
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H10Cl2N2O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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