| CAS Number | 957198-19-5 |
| Catalog Number | AG01FPVV(AGN-PC-3H5P6D) |
| Chemical Name | Carbamic acid, N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, 4-nitrophenyl ester |
| IUPAC Name | (4-nitrophenyl) N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate |
| InChI | InChI=1S/C19H21BN2O6/c1-18(2)19(3,4)28-20(27-18)13-5-7-14(8-6-13)21-17(23)26-16-11-9-15(10-12-16)22(24)25/h5-12H,1-4H3,(H,21,23) |
| InChI Key | RHABNVLSYBCQCS-UHFFFAOYSA-N |
| MDL Number | MFCD31583145 |
| Molecular Formula | C19H21BN2O6 |
| Molecular Weight | 384.1908 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)Oc3ccc(cc3)N(=O)=O |
| Synonyms | SCHEMBL12052194,
AS-74540,
A1-09780,
4-nitrophenyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate,
[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-carbamic acid 4-nitro-phenyl ester,
957198-19-5,
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| Complexity | 562 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.149267g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.2g/mol |
| Monoisotopic Mass | 384.149267g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 103Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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