2-[(E)-2-(4-bromophenyl)ethenyl]-1,4-dioctoxybenzene

Update Time: 2025-04-25 16:33:36

	Common Name	2-[(E)-2-(4-bromophenyl)ethenyl]-1,4-dioctoxybenzene	English Name	2-[(E)-2-(4-bromophenyl)ethenyl]-1,4-dioctoxybenzene
	CAS NO.	N/A	Molecular Weight	515.6
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₀H₄₃BrO₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-[(E)-2-(4-bromophenyl)ethenyl]-1,4-dioctoxybenzene

Molecular Formula	C30H43BrO2
Molecular Weight	515.6
Exact Mass	514.24464
LogP	11.70
Standard SMILES	CCCCCCCCOc1ccc(OCCCCCCCC)c(C=Cc2ccc(Br)cc2)c1
Canonical SMILES	CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)C=CC2=CC=C(C=C2)Br
Isomeric SMILES	CCCCCCCCOC1=CC(=C(C=C1)OCCCCCCCC)/C=C/C2=CC=C(C=C2)Br
Standard InChI Identifier	InChI=1S/C30H43BrO2/c1-3-5-7-9-11-13-23-32-29-21-22-30(33-24-14-12-10-8-6-4-2)27(25-29)18-15-26-16-19-28(31)20-17-26/h15-22,25H,3-14,23-24H2,1-2H3/b18-15+
Standard InChI Key	AXSGQQTXZGOPOS-OBGWFSINSA-N
Compound Complexity	472.00
computational chemistry	Hydrogen Bond Acceptor Count：2 Hydrogen Bond Donor Count：0 Rotatable Bond Count：18 Heavy Atom Count：33 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：1 Defined Chiral Bond Count：1 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：514.24464