| CAS Number | 1269152-39-7 |
| Catalog Number | AG01AGSC |
| Chemical Name | 2-[(2-Chloro-6-nitrophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(2-chloro-6-nitrobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H7ClN2O5/c10-5-2-1-3-6(12(16)17)8(5)9(15)11-4-7(13)14/h1-3H,4H2,(H,11,15)(H,13,14) |
| InChI Key | DDSUIEKXBYCNFR-UHFFFAOYSA-N |
| MDL Number | MFCD18380640 |
| Molecular Formula | C9H7ClN2O5 |
| Molecular Weight | 258.6153 |
| SMILES | OC(CNC(C1=C([N+]([O-])=O)C=CC=C1Cl)=O)=O |
| Synonyms | 2-[(2-chloro-6-nitrophenyl)formamido]acetic acid,
1269152-39-7,
AC1Q75XL,
ZINC60276646,
AKOS008154218,
MCULE-9289540090,
NE33637,
EN300-72689,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.614g/mol |
| Monoisotopic Mass | 258.004g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number