Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
Basic information
- CAS
109460-96-0- Standard SMILES
COC(=O)/C(C#N)=C/c1ccccc1Br- InChIKey
SSKFRKHFQPOMDS-RMKNXTFCSA-N- Molecular formula
- C11H8BrNO2
- Average molar mass
- 266.09 g/mol
- Monoisotopic mass
- 264.97384
Names & identifiers
- Preferred name
- Acrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl ester
- IUPAC
- methyl (E)-3-(2-bromophenyl)-2-cyanoprop-2-enoate
Names & synonyms
MW9DV3VNL5Methyl 2-cyano-3-(2-bromophenyl)acrylate109460-96-0Methyl 3-(2-bromophenyl)-2-cyano-2-propenoateCCRIS 1691Methyl 2-cyano-3-(2-bromophenyl)-acrylateAcrylic acid, 2-cyano-3-(2-bromophenyl)-, methyl esterMethyl (2E)-3-(2-bromophenyl)-2-cyano-2-propenoate2-Propenoic acid, 3-(2-bromophenyl)-2-cyano-, methyl ester2-Propenoic acid, 3-(2-bromophenyl)-2-cyano-, methyl ester, (2E)-196512-60-4RefChem:199364
Show more names
UNII-MW9DV3VNL5methyl 3-(2-bromophenyl)-2-cyanoprop-2-enoatemethyl (E)-3-(2-bromophenyl)-2-cyanoprop-2-enoatemethyl (2E)-3-(2-bromophenyl)-2-cyanoprop-2-enoateSCHEMBL21457375MFCD00455021AKOS008660134ST001769
Database identifiers
- CAS
109460-96-0、196512-60-4- PubChem CID
- 674253
- UNII
- MW9DV3VNL5
- Nikkaji
- J888.332G、J948.662C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…