| CAS Number | 936902-06-6 |
| Catalog Number | AG00H5L2(AGN-PC-0WQWO2) |
| Chemical Name | (7-Chloro-1-benzothiophen-2-yl)boranediol |
| IUPAC Name | (7-chloro-1-benzothiophen-2-yl)boronic acid |
| InChI | InChI=1S/C8H6BClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4,11-12H |
| InChI Key | MCBCDJNNKDMHKL-UHFFFAOYSA-N |
| MDL Number | MFCD16681212 |
| Molecular Formula | C8H6BClO2S |
| Molecular Weight | 212.4610 |
| SMILES | OB(C1SC2=C(C=CC=C2Cl)C=1)O |
| Synonyms | 936902-06-6,
(7-Chlorobenzo[b]thiophen-2-yl)boronic acid,
(7-chloro-1-benzothiophen-2-yl)boranediol,
(7-chloro-1-benzothiophen-2-yl)boronic acid,
7-chlorobenzo[b]thiophene-2-boronic acid,
B-(7-chlorobenzo[b]thien-2-yl)Boronic acid,
SCHEMBL594128,
AC1Q716S,
MCBCDJNNKDMHKL-UHFFFAOYSA-N,
MFCD16681212,
AKOS011339777,
ZINC169928097,
NE41890,
AS-43237,
DB-079655,
FT-0710445,
EN300-60211,
Boronic acid, B-(7-chlorobenzo[b]thien-2-yl)-,
BETA-(7-CHLOROBENZO[B]THIEN-2-YL)BORONIC ACID,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.454g/mol |
| Monoisotopic Mass | 211.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.7A^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