Ethyl 3-(3-bromophenyl)prop-2-enoate

HCID 568440CAS 59114-88-4
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)C=Cc1cccc(Br)c1
InChIKey
MSSAFCYKWMNVMZ-UHFFFAOYSA-N
Molecular formula
C11H11BrO2
Average molar mass
255.11 g/mol
Monoisotopic mass
253.99424169

Names & identifiers

Preferred name
Ethyl 3-(3-bromophenyl)prop-2-enoate
IUPAC
ethyl 3-(3-bromophenyl)prop-2-enoate
English name
(E)-ethyl 3-(3-bromophenyl)acrylate
Molecular formula
C11H11BrO2
Molecular weight
255.11

Names & synonyms

ethyl 3-(3-bromophenyl)prop-2-enoateDTXSID30340906RefChem:343157DTXCID1029198759114-88-43-Bromocinnamic acid ethyl esterSCHEMBL563301SCHEMBL31408751MSSAFCYKWMNVMZ-UHFFFAOYSA-NAKOS017265152ethyl 3-(3-bromophenyl)-2-propenoate(E)-ethyl 3-(3-bromophenyl)acrylate
Show more names
ethyl trans-3-(3-bromophenyl)-2-propenoate3-(3-Bromo-phenyl)-acrylic acid ethyl ester(E)-3-(3-Bromo-phenyl)-acrylic acid ethyl ester2-Propenoic acid, 3-(3-bromophenyl)-, ethyl ester, (2E)-

Database identifiers

CAS
59114-88-4
PubChem CID
568440
DTXSID
DTXSID30340906

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
37 °C · 37 °C(Solv: ethanol (64-17-5))
Boiling point
325.1 · 325.1±25.0 °C(Predicted)
Density
1.393 · 1.393±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers16 total

江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

11 records
New reaction record

Linked notes

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