| CAS Number | 1377248-58-2 |
| Catalog Number | AG0013RQ(AGN-PC-0WA8SB) |
| Chemical Name | Boronic acid, B-(3-methoxy-4-nitrophenyl)- |
| IUPAC Name | (3-methoxy-4-nitrophenyl)boronic acid |
| InChI | InChI=1S/C7H8BNO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,10-11H,1H3 |
| InChI Key | JRILQEOSUUIULP-UHFFFAOYSA-N |
| MDL Number | MFCD21609543 |
| Molecular Formula | C7H8BNO5 |
| Molecular Weight | 196.9531 |
| SMILES | COC=1C=C(C=CC1[N+](=O)[O-])B(O)O |
| Synonyms | 3-Methoxy-4-nitrophenylboronic acid,
1377248-58-2,
(3-methoxy-4-nitrophenyl)boronic acid,
ACMC-209cep,
CTK8B0690,
DTXSID10743017,
ANW-20351,
MFCD21609543,
AKOS024438526,
ZINC169964800,
FCH1566107,
OR361381,
TC-109096,
V2782,
Boronic acid, B-(3-methoxy-4-nitrophenyl)-,
B-9071,
C7H8BNO5,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.953g/mol |
| Monoisotopic Mass | 197.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 95.5A^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