(2E)-3-(2-chlorophenyl)-N,N-bis(cyanomethyl)prop-2-enamide

(2E)-3-(2-chlorophenyl)-N,N-bis(cyanomethyl)prop-2-enamide

Formula: C13H10ClN3O

SMILES: ClC1=CC=CC=C1C=CC(=O)N(CC#N)CC#N

IUPAC: (2E)-3-(2-chlorophenyl)-N,N-bis(cyanomethyl)prop-2-enamide

InChI: InChI=1S/C13H10ClN3O/c14-12-4-2-1-3-11(12)5-6-13(18)17(9-7-15)10-8-16/h1-6H,9-10H2/b6-5+

Composition: C (60.13%), H (3.88%), Cl (13.65%), N (16.18%), O (6.16%)

Molar Mass: 259.69

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.0512397
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JEEKSWUFEUXBOL-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.61
Topological Polar Surface Area	67.89
Polarizability	25.77
Ring Count	1
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H10ClN3O		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00