4-(Cyclohexyloxy)phenylboronic Acid - CAS 570398-88-8
Catalog: |
BB029567 |
Product Name: |
4-(Cyclohexyloxy)phenylboronic Acid |
CAS: |
570398-88-8 |
Synonyms: |
(4-cyclohexyloxyphenyl)boronic acid; (4-cyclohexyloxyphenyl)boronic acid |
IUPAC Name: | (4-cyclohexyloxyphenyl)boronic acid |
Description: | 4-(Cyclohexyloxy)phenylboronic Acid (CAS# 570398-88-8) is a useful research chemical. |
Molecular Weight: | 220.07 |
Molecular Formula: | C12H17O3B |
Canonical SMILES: | B(C1=CC=C(C=C1)OC2CCCCC2)(O)O |
InChI: | InChI=1S/C12H17BO3/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: | LRWBGLILWSKAMP-UHFFFAOYSA-N |
LogP: | 1.07790 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112604618-A | Application of continuous flow reactor in boric acid synthesis | 20201218 |
AU-2012354695-A1 | Novel S1P receptor modulator | 20111223 |
AU-2012354695-B2 | Novel S1P receptor modulator | 20111223 |
CA-2859628-A1 | S1p receptor modulating agent | 20111223 |
CA-2859628-C | S1p receptor modulating agent | 20111223 |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.1270746 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.1270746 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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