1-Chloro-isoquinoline-6-boronic acid - CAS 1800484-01-8
Catalog: |
BB062444 |
Product Name: |
1-Chloro-isoquinoline-6-boronic acid |
CAS: |
1800484-01-8 |
Synonyms: |
1-chloroisoquinolin-6-yl-6-boronic acid; (1-Chloroisoquinolin-6-yl)boronic acid; 1-CHLORO-ISOQUINOLINE-6-BORONIC ACID; 1-Chloroisoquinoline-6-boronic acid; 1-CHLOROISOQUINOLIN-6-BORONIC ACID |
IUPAC Name: | (1-chloroisoquinolin-6-yl)boronic acid |
Description: | 1-Chloro-isoquinoline-6-boronic acid |
Molecular Weight: | 207.42 |
Molecular Formula: | C9H7BClNO2 |
Canonical SMILES: | B(C1=CC2=C(C=C1)C(=NC=C2)Cl)(O)O |
InChI: | InChI=1S/C9H7BClNO2/c11-9-8-2-1-7(10(13)14)5-6(8)3-4-12-9/h1-5,13-14H |
InChI Key: | MPCIGBKCHAHPKD-UHFFFAOYSA-N |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0258363 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0258363 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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