N-(4-chloro-3-nitrophenyl)-3-(2-cyanoacetohydrazido)but-2-enamide

N-(4-chloro-3-nitrophenyl)-3-(2-cyanoacetohydrazido)but-2-enamide

Formula: C13H12ClN5O4

SMILES: CC(NNC(=O)CC#N)=CC(=O)NC1=CC=C(Cl)C(=C1)[N+]([O-])=O

IUPAC: N-(4-chloro-3-nitrophenyl)-3-(2-cyanoacetohydrazido)but-2-enamide

InChI: InChI=1S/C13H12ClN5O4/c1-8(17-18-12(20)4-5-15)6-13(21)16-9-2-3-10(14)11(7-9)19(22)23/h2-3,6-7,17H,4H2,1H3,(H,16,21)(H,18,20)

Composition: C (46.23%), H (3.58%), Cl (10.50%), N (20.74%), O (18.95%)

Molar Mass: 337.72

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	337.0577816
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	JKEIXWKOMHZNRH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.83
Topological Polar Surface Area	137.16
Polarizability	30.35
Ring Count	1
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H12ClN5O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00