| CAS Number | 214288-97-8 |
| Catalog Number | AG0072DP(AGN-PC-0MUP26) |
| Chemical Name | 2-(Carbamoylamino)-4-chlorobenzoic acid |
| IUPAC Name | 2-(carbamoylamino)-4-chlorobenzoic acid |
| InChI | InChI=1S/C8H7ClN2O3/c9-4-1-2-5(7(12)13)6(3-4)11-8(10)14/h1-3H,(H,12,13)(H3,10,11,14) |
| InChI Key | XASXTCYIFHJOFC-UHFFFAOYSA-N |
| MDL Number | MFCD09048937 |
| Molecular Formula | C8H7ClN2O3 |
| Molecular Weight | 214.6058 |
| SMILES | NC(NC1=C(C(O)=O)C=CC(Cl)=C1)=O |
| Synonyms | 2-(carbamoylamino)-4-chlorobenzoic acid,
4-Chloro-2-ureidobenzoic acid,
214288-97-8,
EN300-55907,
Benzoic acid, 2-[(aminocarbonyl)amino]-4-chloro-,
AC1Q4ZUR,
SCHEMBL7255416,
CTK0I9446,
DTXSID50431941,
ZINC22144557,
AKOS000132380,
FCH5278551,
MCULE-7749335698,
NE55311,
Z1259040968,
CID9859199,
2-(carbamoylamino)-4-chloro-benzoic Acid,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.605g/mol |
| Monoisotopic Mass | 214.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number