| CAS Number | 1181868-84-7 |
| Catalog Number | AG019PH0 |
| Chemical Name | 3-(2-chloroacetamido)naphthalene-2-carboxylic acid |
| IUPAC Name | 3-[(2-chloroacetyl)amino]naphthalene-2-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO3/c14-7-12(16)15-11-6-9-4-2-1-3-8(9)5-10(11)13(17)18/h1-6H,7H2,(H,15,16)(H,17,18) |
| InChI Key | WLXLYMHAHDZFSR-UHFFFAOYSA-N |
| MDL Number | MFCD12196998 |
| Molecular Formula | C13H10ClNO3 |
| Molecular Weight | 263.6764 |
| SMILES | OC(C1=C(NC(CCl)=O)C=C2C(C=CC=C2)=C1)=O |
| Synonyms | 3-(2-chloroacetamido)naphthalene-2-carboxylic acid,
1181868-84-7,
AC1Q72FT,
CTK6H5425,
ZINC36378218,
AKOS030699764,
MCULE-9120473137,
NE15472,
EN300-23604,
|
| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.677g/mol |
| Monoisotopic Mass | 263.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number