| CAS Number | 411229-80-6 |
| Catalog Number | AG00CJYR(AGN-PC-03X8KF) |
| Chemical Name | 4-Cyclopropylthiophenylboronic acid |
| IUPAC Name | (4-cyclopropylsulfanylphenyl)boronic acid |
| InChI | InChI=1S/C9H11BO2S/c11-10(12)7-1-3-8(4-2-7)13-9-5-6-9/h1-4,9,11-12H,5-6H2 |
| InChI Key | APWUGUMSANWOII-UHFFFAOYSA-N |
| MDL Number | MFCD08701720 |
| Molecular Formula | C9H11BO2S |
| Molecular Weight | 194.0584 |
| SMILES | OB(O)C1=CC=C(SC2CC2)C=C1 |
| Synonyms | (4-(Cyclopropylthio)phenyl)boronic acid,
411229-80-6,
AKOS BRN-0446,
SCHEMBL2412092,
ANW-60402,
FCH862980,
MFCD08701720,
AKOS004119239,
ZINC169844652,
OR360489,
[4-(cyclopropylsulfanyl)phenyl]boronic acid,
AX8232735,
TC-149147,
X0796,
B-2661,
Boronic acid, [4-(cyclopropylthio)phenyl]- (9CI),
4-CYCLOPROPYLTHIOPHENYLBORONIC ACID,
C9H11BO2S,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.055g/mol |
| Monoisotopic Mass | 194.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.8A^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