5-Amino-2-chlorophenylboronic Acid - CAS 958646-69-0
Catalog: |
BB054906 |
Product Name: |
5-Amino-2-chlorophenylboronic Acid |
CAS: |
958646-69-0 |
Synonyms: |
(5-amino-2-chlorophenyl)boronic acid hydrochloride; 5-Amino-2-chlorophenylboronic acid, HCl; (5-amino-2-chlorophenyl)boronic acid; hydrochloride |
IUPAC Name: | (5-amino-2-chlorophenyl)boronic acidhydrochloride |
Molecular Weight: | 171.39 |
Molecular Formula: | C6H7BClNO2 |
Canonical SMILES: | B(C1=C(C=CC(=C1)N)Cl)(O)O.Cl |
InChI: | InChI=1S/C6H7BClNO2.ClH/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,10-11H,9H21H |
InChI Key: | LZLUPPGYAMRAPF-UHFFFAOYSA-N |
Storage: | 4°C, Hygroscopic |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0025141 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0025141 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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