Text Search
Structure Search

ethyl 3,4-dibromobenzoate

ethyl 3,4-dibromobenzoate

CAS: 60469-88-7

Formula: C9H8Br2O2

SMILES: CCOC(=O)C1=CC=C(Br)C(Br)=C1

IUPAC: ethyl 3,4-dibromobenzoate

InChI: InChI=1S/C9H8Br2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

Composition: C (35.10%), H (2.62%), Br (51.89%), O (10.39%)

Molar Mass: 307.969

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 305.889105
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KFYLGKGKNMCPKV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.08
Topological Polar Surface Area 26.3
Polarizability 22.5
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
LabNetwork INC
Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 60469-88-7 $149.69-$1,632.96$149.69$272.16$544.32$1,632.96
Request Quote