(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

Formula: C17H12ClN3O4

SMILES: CC1=CC=C(Cl)C=C1NC(=O)C(=CC1=CC=C(O)C(=C1)[N+]([O-])=O)C#N

IUPAC: (2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-hydroxy-3-nitrophenyl)prop-2-enamide

InChI: InChI=1S/C17H12ClN3O4/c1-10-2-4-13(18)8-14(10)20-17(23)12(9-19)6-11-3-5-16(22)15(7-11)21(24)25/h2-8,22H,1H3,(H,20,23)/b12-6+

Composition: C (57.08%), H (3.38%), Cl (9.91%), N (11.75%), O (17.89%)

Molar Mass: 357.75

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	357.0516336
Formal Charge	0
FSP3	0.06
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	HDXRXQBTSWPTPU-WUXMJOGZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.54
Topological Polar Surface Area	116.26
Polarizability	34.26
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12ClN3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00