| CAS Number | 1313617-51-4 |
| Catalog Number | AG000VZL(AGN-PC-09PZ3Q) |
| Chemical Name | 2-Carbamoyl-5-chlorophenylboronic acid |
| IUPAC Name | (2-carbamoyl-5-chlorophenyl)boronic acid |
| InChI | InChI=1S/C7H7BClNO3/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,12-13H,(H2,10,11) |
| InChI Key | ANUCOOWCIFLMDP-UHFFFAOYSA-N |
| MDL Number | MFCD18311844 |
| Molecular Formula | C7H7BClNO3 |
| Molecular Weight | 199.3994 |
| SMILES | ClC1=CC=C(C(N)=O)C(B(O)O)=C1 |
| Synonyms | 1313617-51-4,
(2-Carbamoyl-5-chlorophenyl)boronic acid,
2-CARBAMOYL-5-CHLOROPHENYLBORONIC ACID,
ACMC-209bli,
CTK8B0087,
DTXSID80681735,
ANW-19300,
MFCD18311844,
AKOS006317465,
ZINC169746572,
SC-54028,
TC-108045,
ST24020189,
Z9564,
B-7089,
I04-2271,
Boronic acid, B-[2-(aminocarbonyl)-5-chlorophenyl]-,
C7H7BClNO3,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.397g/mol |
| Monoisotopic Mass | 199.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number