Text Search
Structure Search

ethyl N-(2-cyano-2-{[(2,4-dichlorophenyl)amino]methylidene}acetyl)carbamate

ethyl N-(2-cyano-2-{[(2,4-dichlorophenyl)amino]methylidene}acetyl)carbamate

CAS: 321432-13-7

Formula: C13H11Cl2N3O3

SMILES: CCOC(=O)NC(=O)C(=CNC1=C(Cl)C=C(Cl)C=C1)C#N

IUPAC: ethyl N-(2-cyano-2-{[(2,4-dichlorophenyl)amino]methylidene}acetyl)carbamate

InChI: InChI=1S/C13H11Cl2N3O3/c1-2-21-13(20)18-12(19)8(6-16)7-17-11-4-3-9(14)5-10(11)15/h3-5,7,17H,2H2,1H3,(H,18,19,20)

Composition: C (47.58%), H (3.38%), Cl (21.61%), N (12.81%), O (14.63%)

Molar Mass: 328.15

Atom Count: 32

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 327.0177466
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MQYTXOBCVAEPIM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.68
Topological Polar Surface Area 91.22
Polarizability 29.84
Ring Count 1
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 321432-13-7 $51.35-$524.40$51.35$63.37$86.31$524.40
Request Quote