5-Chloro-2-cyanophenylboronic Acid - CAS 1072946-52-1
Catalog: |
BB002032 |
Product Name: |
5-Chloro-2-cyanophenylboronic Acid |
CAS: |
1072946-52-1 |
Synonyms: |
(5-chloro-2-cyanophenyl)boronic acid; (5-chloro-2-cyanophenyl)boronic acid |
IUPAC Name: | (5-chloro-2-cyanophenyl)boronic acid |
Description: | 5-Chloro-2-cyanophenylboronic Acid (CAS# 1072946-52-1) is a useful research chemical. |
Molecular Weight: | 181.38 |
Molecular Formula: | C7H5ClNO2B |
Canonical SMILES: | B(C1=C(C=CC(=C1)Cl)C#N)(O)O |
InChI: | InChI=1S/C7H5BClNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H |
InChI Key: | JXIINQQPEHZQAY-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 ℃ |
LogP: | -0.10852 |
Publication Number | Title | Priority Date |
WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
AU-2017289974-A1 | Biarylmethyl heterocycles | 20160629 |
CA-3029630-A1 | Biarylmethyl heterocycles | 20160629 |
EP-3478672-A1 | Biarylmethyl heterocycles | 20160629 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0101863 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0101863 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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