| CAS Number | 88039-46-7 |
| Catalog Number | AG01ENIL(AGN-PC-0VIJAP) |
| Chemical Name | INF4E |
| IUPAC Name | ethyl 2-[(2-chlorophenyl)-hydroxymethyl]prop-2-enoate |
| InChI | InChI=1S/C12H13ClO3/c1-3-16-12(15)8(2)11(14)9-6-4-5-7-10(9)13/h4-7,11,14H,2-3H2,1H3 |
| InChI Key | BSRPDXCMAOIUOO-UHFFFAOYSA-N |
| MDL Number | MFCD11130427 |
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.6828 |
| SMILES | ClC1=C(C=CC=C1)C(C(C(=O)OCC)=C)O |
| Synonyms | ethyl 2-((2-chlorophenyl)(hydroxy)methyl)acrylate,
CHEMBL2047937,
88039-46-7,
Ethyl 2-((2-Chlorophenyl)(Hydroxy)Methyl)Acrylate,
INF 4E,
SCHEMBL15917187,
2-[hydroxy(2-chlorophenyl)methyl]acrylic acid ethyl ester,
BDBM50033886,
AKOS000208899,
AKOS022488341,
Ethyl2[(2-chlorophenyl)(hydroxy)methyl]acrylate,
Ethyl 2[(2-chlorophenyl)(hydroxy)methyl]acrylate,
2-(alpha-Hydroxy-2-chlorobenzyl)acrylic acid ethyl ester,
CID11402215,
Ethyl 2-[(2-chlorophenyl)-hydroxy-methyl]prop-2-enoate,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.683g/mol |
| Monoisotopic Mass | 240.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number