2-Fluoro-5-(hydroxymethyl)phenylboronic Acid - CAS 1072952-25-0
Catalog: |
BB002042 |
Product Name: |
2-Fluoro-5-(hydroxymethyl)phenylboronic Acid |
CAS: |
1072952-25-0 |
Synonyms: |
[2-fluoro-5-(hydroxymethyl)phenyl]boronic acid; [2-fluoro-5-(hydroxymethyl)phenyl]boronic acid |
IUPAC Name: | [2-fluoro-5-(hydroxymethyl)phenyl]boronic acid |
Description: | 2-Fluoro-5-(hydroxymethyl)phenylboronic Acid (CAS# 1072952-25-0) is a useful research chemical. |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8FO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)CO)F)(O)O |
InChI: | InChI=1S/C7H8BFO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10-12H,4H2 |
InChI Key: | CMJGYVJNQJJJOZ-UHFFFAOYSA-N |
Appearance: | White powder |
MDL: | MFCD06656276 |
LogP: | -1.00220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2013147443-A | β-SUBSTITUTED CARBOXYLIC ACID DERIVATIVE | 20120118 |
CA-2837146-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-B1 | Benzocycloheptene acetic acids | 20110606 |
JP-2014522407-A | Benzocycloheptene acetic acid | 20110606 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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