(4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid - CAS 1221448-69-6
Catalog: |
BB062137 |
Product Name: |
(4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid |
CAS: |
1221448-69-6 |
Synonyms: |
(4-(((Benzyloxy)carbonyl)(ethyl)amino)phenyl)boronic acid; (4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid; [4-[ethyl(phenylmethoxycarbonyl)amino]phenyl]boronic acid; (4-(((Benzyloxy)carbonyl)(ethyl)-amino)phenyl)boronic acid |
IUPAC Name: | [4-[ethyl(phenylmethoxycarbonyl)amino]phenyl]boronic acid |
Description: | (4-{[(Benzyloxy)carbonyl](ethyl)amino}phenyl)boronic acid |
Molecular Weight: | 299.13 |
Molecular Formula: | C16H18BNO4 |
Canonical SMILES: | B(C1=CC=C(C=C1)N(CC)C(=O)OCC2=CC=CC=C2)(O)O |
InChI: | InChI=1S/C16H18BNO4/c1-2-18(15-10-8-14(9-11-15)17(20)21)16(19)22-12-13-6-4-3-5-7-13/h3-11,20-21H,2,12H2,1H3 |
InChI Key: | ZQSANIXVXNVIRM-UHFFFAOYSA-N |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.1328882 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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