| CAS Number | 777877-45-9 |
| Catalog Number | AG0057M5(AGN-PC-0WB4GE) |
| Chemical Name | 2-(Butyrylamino)-4-chlorobenzoic acid |
| IUPAC Name | 2-(butanoylamino)-4-chlorobenzoic acid |
| InChI | InChI=1S/C11H12ClNO3/c1-2-3-10(14)13-9-6-7(12)4-5-8(9)11(15)16/h4-6H,2-3H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | OYDAXENJTPWLSC-UHFFFAOYSA-N |
| MDL Number | MFCD02032437 |
| Molecular Formula | C11H12ClNO3 |
| Molecular Weight | 241.6709 |
| SMILES | C1(=CC=C(C=C1NC(CCC)=O)Cl)C(O)=O |
| Synonyms | 2-(butyrylamino)-4-chlorobenzoic acid,
777877-45-9,
AN-153/14071361,
CTK5E4916,
DTXSID10588667,
2-Butanamido-4-chlorobenzoic acid,
2-Butyramido-4-chlorobenzoic acid,
CHEMBRDG-BB 6088842,
ZX-CM016480,
MFCD02032437,
STK299520,
ZINC13957505,
AKOS000152560,
MCULE-1474823236,
2-(butanoylamino)-4-chlorobenzoic acid,
AJ-64537,
W-8969,
CHEMBRDG-BB6088842,
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| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.671g/mol |
| Monoisotopic Mass | 241.051g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number