3-amino-5-(4-bromophenyl)-3',4'-dimethoxy-[1,1'-biphenyl]-2,4-dicarbonitrile

3-amino-5-(4-bromophenyl)-3',4'-dimethoxy-[1,1'-biphenyl]-2,4-dicarbonitrile

Formula: C22H16BrN3O2

SMILES: COC1=CC=C(C=C1OC)C1=C(C#N)C(N)=C(C#N)C(=C1)C1=CC=C(Br)C=C1

IUPAC: 3-amino-5-(4-bromophenyl)-3',4'-dimethoxy-[1,1'-biphenyl]-2,4-dicarbonitrile

InChI: InChI=1S/C22H16BrN3O2/c1-27-20-8-5-14(9-21(20)28-2)17-10-16(13-3-6-15(23)7-4-13)18(11-24)22(26)19(17)12-25/h3-10H,26H2,1-2H3

Composition: C (60.84%), H (3.71%), Br (18.40%), N (9.68%), O (7.37%)

Molar Mass: 434.293

Atom Count: 44

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	433.04259
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CPORRADJORVWCB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.02
Topological Polar Surface Area	92.06
Polarizability	44.71
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H16BrN3O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00