ethyl (2E)-3-(3-bromo-5-cyanophenyl)prop-2-enoate

ethyl (2E)-3-(3-bromo-5-cyanophenyl)prop-2-enoate

Formula: C12H10BrNO2

SMILES: CCOC(=O)C=CC1=CC(Br)=CC(=C1)C#N

IUPAC: ethyl (2E)-3-(3-bromo-5-cyanophenyl)prop-2-enoate

InChI: InChI=1S/C12H10BrNO2/c1-2-16-12(15)4-3-9-5-10(8-14)7-11(13)6-9/h3-7H,2H2,1H3/b4-3+

Composition: C (51.45%), H (3.60%), Br (28.52%), N (5.00%), O (11.42%)

Molar Mass: 280.121

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.989492
Formal Charge	0
FSP3	0.17
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QUPRKPWFMBAZMR-ONEGZZNKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.92
Topological Polar Surface Area	50.09
Polarizability	24.69
Ring Count	1
Rotatable Bond Count	4

Suppliers

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
95%	<5 Days	C12H10BrNO2		$2,120.00-$3,740.00$2,120.00$2,860.00$3,740.00