| CAS Number | 870521-32-7 |
| Catalog Number | AG00IEBV(AGN-PC-07CN2R) |
| Chemical Name | Boronic acid, [2-(1-methylethoxy)-5-pyrimidinyl]- |
| IUPAC Name | (2-propan-2-yloxypyrimidin-5-yl)boronic acid |
| InChI | InChI=1S/C7H11BN2O3/c1-5(2)13-7-9-3-6(4-10-7)8(11)12/h3-5,11-12H,1-2H3 |
| InChI Key | LNEJPMVAGHZZJG-UHFFFAOYSA-N |
| MDL Number | MFCD16618883 |
| Molecular Formula | C7H11BN2O3 |
| Molecular Weight | 181.9848 |
| SMILES | CC(OC1=NC=C(B(O)O)C=N1)C |
| Synonyms | (2-Isopropoxypyrimidin-5-yl)boronic acid,
870521-32-7,
2-isopropoxypyrimidin-5-ylboronic acid,
AK137059,
SCHEMBL4605475,
DTXSID40670221,
LNEJPMVAGHZZJG-UHFFFAOYSA-N,
MFCD16618883,
2-Isopropoxy-5-pyrimidineboronic acid,
AKOS015941947,
ZINC169905485,
DS-5658,
FCH1159941,
2-isopropoxy-pyrimidin-5-yl-boronic acid,
EN000018,
AX8258627,
{2-[(Propan-2-yl)oxy]pyrimidin-5-yl}boronic acid,
Boronic acid, [2-(1-methylethoxy)-5-pyrimidinyl]-,
Boronic acid, B-[2-(1-methylethoxy)-5-pyrimidinyl]-,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.986g/mol |
| Monoisotopic Mass | 182.086g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number