2,3-Difluoro-4-(methoxycarbonyl)phenylboronic acid - CAS 1402238-29-2
Catalog: |
BB067719 |
Product Name: |
2,3-Difluoro-4-(methoxycarbonyl)phenylboronic acid |
CAS: |
1402238-29-2 |
Synonyms: |
2,3-DIFLUORO-4-(METHOXYCARBONYL)PHENYLBORONIC ACID; (2,3-difluoro-4-methoxycarbonylphenyl)boronic acid |
IUPAC Name: | (2,3-difluoro-4-methoxycarbonylphenyl)boronic acid |
Description: | 2,3-Difluoro-4-(methoxycarbonyl)phenylboronic acid |
Molecular Weight: | 215.95 |
Molecular Formula: | C8H7BF2O4 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)C(=O)OC)F)F)(O)O |
InChI: | InChI=1S/C8H7BF2O4/c1-15-8(12)4-2-3-5(9(13)14)7(11)6(4)10/h2-3,13-14H,1H3 |
InChI Key: | DNIOTHIAVRFCFK-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0405452 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0405452 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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