(2Z)-3-{2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-phenylprop-2-enenitrile

(2Z)-3-{2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-phenylprop-2-enenitrile

Formula: C23H17BrClNO2

SMILES: COC1=C(OCC2=CC=C(Cl)C=C2)C=C(Br)C(C=C(/C#N)C2=CC=CC=C2)=C1

IUPAC: (2Z)-3-{2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl}-2-phenylprop-2-enenitrile

InChI: InChI=1S/C23H17BrClNO2/c1-27-22-12-18(11-19(14-26)17-5-3-2-4-6-17)21(24)13-23(22)28-15-16-7-9-20(25)10-8-16/h2-13H,15H2,1H3/b19-11+

Composition: C (60.75%), H (3.77%), Br (17.57%), Cl (7.80%), N (3.08%), O (7.04%)

Molar Mass: 454.75

Atom Count: 45

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	453.013119
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KPEYDEWFGNHARV-YBFXNURJSA-N
Lipinski's Rule of Five
Molar Refractivity	116.46
Topological Polar Surface Area	42.25
Polarizability	44.22
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H17BrClNO2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00