(2Z)-3-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile

(2Z)-3-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile

Formula: C23H17BrN2O4

SMILES: COC1=CC(C=C(/C#N)C2=CC=C(C=C2)[N+]([O-])=O)=CC=C1OCC1=CC=C(Br)C=C1

IUPAC: (2Z)-3-{4-[(4-bromophenyl)methoxy]-3-methoxyphenyl}-2-(4-nitrophenyl)prop-2-enenitrile

InChI: InChI=1S/C23H17BrN2O4/c1-29-23-13-17(4-11-22(23)30-15-16-2-7-20(24)8-3-16)12-19(14-25)18-5-9-21(10-6-18)26(27)28/h2-13H,15H2,1H3/b19-12+

Composition: C (59.37%), H (3.68%), Br (17.17%), N (6.02%), O (13.75%)

Molar Mass: 465.303

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	464.03717
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	XEOPARUUWBKDFV-XDHOZWIPSA-N
Lipinski's Rule of Five
Molar Refractivity	117.97
Topological Polar Surface Area	85.39
Polarizability	44.26
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H17BrN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00