4-(Cyclohexylsulfanyl)phenylboronic acid - CAS 1107603-50-8
Catalog: |
BB068853 |
Product Name: |
4-(Cyclohexylsulfanyl)phenylboronic acid |
CAS: |
1107603-50-8 |
Synonyms: |
4-(Cyclohexylsulfanyl)phenylboronic acid; (4-cyclohexylsulfanylphenyl)boronic acid; 4-(Cyclohexylsulfanyl)phenylboronicacid |
IUPAC Name: | (4-cyclohexylsulfanylphenyl)boronic acid |
Description: | 4-(Cyclohexylsulfanyl)phenylboronic acid |
Molecular Weight: | 236.14 |
Molecular Formula: | C12H17BO2S |
Canonical SMILES: | B(C1=CC=C(C=C1)SC2CCCCC2)(O)O |
InChI: | InChI=1S/C12H17BO2S/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h6-9,11,14-15H,1-5H2 |
InChI Key: | ABHRFZSOTGVWFL-UHFFFAOYSA-N |
Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1042311 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1042311 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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