| CAS Number | 3744-13-6 |
| Catalog Number | AG01A7VM |
| Chemical Name | 2-{[(4-bromophenyl)carbamoyl]amino}acetic acid |
| IUPAC Name | 2-[(4-bromophenyl)carbamoylamino]acetic acid |
| InChI | InChI=1S/C9H9BrN2O3/c10-6-1-3-7(4-2-6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15) |
| InChI Key | MNYMVAJOBVMXML-UHFFFAOYSA-N |
| MDL Number | MFCD09808994 |
| Molecular Formula | C9H9BrN2O3 |
| Molecular Weight | 273.0834 |
| SMILES | OC(CNC(NC1=CC=C(Br)C=C1)=O)=O |
| Synonyms | 2-{[(4-bromophenyl)carbamoyl]amino}acetic acid,
3744-13-6,
AC1Q760R,
CTK7G5390,
ZINC19410647,
AKOS000164485,
MCULE-2768595861,
NE26721,
EN300-59931,
Z969559726,
2-([(4-bromophenyl)carbamoyl]amino)acetic acid,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.086g/mol |
| Monoisotopic Mass | 271.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number