| CAS Number | 1256355-04-0 |
| Catalog Number | AG000O2Q(AGN-PC-0WAA82) |
| Chemical Name | 4-Chloro-2-isopropoxyphenylboronic acid |
| IUPAC Name | (4-chloro-2-propan-2-yloxyphenyl)boronic acid |
| InChI | InChI=1S/C9H12BClO3/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,12-13H,1-2H3 |
| InChI Key | YIGSWKJVDNWHFS-UHFFFAOYSA-N |
| MDL Number | MFCD17015770 |
| Molecular Formula | C9H12BClO3 |
| Molecular Weight | 214.4538 |
| SMILES | c1cc(cc(c1B(O)O)OC(C)C)Cl |
| Synonyms | 1256355-04-0,
(4-Chloro-2-isopropoxyphenyl)boronic acid,
4-CHLORO-2-ISOPROPOXYPHENYLBORONIC ACID,
ACMC-209axz,
CTK4B4578,
DTXSID50681707,
ANW-18453,
MFCD17015770,
AKOS015850130,
ZINC169934541,
TR-035236,
FT-0706774,
X1900,
B-2751,
[4-chloro-2-(propan-2-yloxy)phenyl]boronic acid,
{4-Chloro-2-[(propan-2-yl)oxy]phenyl}boronic acid,
I04-2542,
Boronic acid, B-[4-chloro-2-(1-methylethoxy)phenyl]-,
C9H12BClO3,
(4-Chloro-2-isopropoxyphenyl)boronicacid,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.452g/mol |
| Monoisotopic Mass | 214.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^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