| CAS Number | 22482-74-2 |
| Catalog Number | AG01BHHE(AGN-PC-0H2YIM) |
| Chemical Name | 2-(Carboxymethyl)-3-chlorobenzoic acid |
| IUPAC Name | 2-(carboxymethyl)-3-chlorobenzoic acid |
| InChI | InChI=1S/C9H7ClO4/c10-7-3-1-2-5(9(13)14)6(7)4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14) |
| InChI Key | HARZEJOUACLTDB-UHFFFAOYSA-N |
| MDL Number | MFCD19370530 |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.6025 |
| SMILES | C(=O)(O)CC1=C(C(=O)O)C=CC=C1Cl |
| Synonyms | 2-(carboxymethyl)-3-chlorobenzoic acid,
22482-74-2,
Benzeneacetic acid, 2-carboxy-6-chloro-,
SCHEMBL1035697,
HARZEJOUACLTDB-UHFFFAOYSA-N,
2-carboxymethyl-3-chlorobenzoic acid,
MFCD19370530,
ZINC57939280,
AKOS016370666,
Z2037266949,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.601g/mol |
| Monoisotopic Mass | 214.003g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number