Diethyl (4-Bromobenzyl)phosphonate - CAS 38186-51-5
Catalog: |
BB023564 |
Product Name: |
Diethyl (4-Bromobenzyl)phosphonate |
CAS: |
38186-51-5 |
Synonyms: |
1-bromo-4-(diethoxyphosphorylmethyl)benzene; 1-bromo-4-(diethoxyphosphorylmethyl)benzene |
IUPAC Name: | 1-bromo-4-(diethoxyphosphorylmethyl)benzene |
Description: | Diethyl 4-Bromobenzylphosphonate can be used as a virucide. |
Molecular Weight: | 307.12 |
Molecular Formula: | C11H16BrO3P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)Br)OCC |
InChI: | InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | IPTXXSZUISGKCJ-UHFFFAOYSA-N |
Boiling Point: | 376.023 °C at 760 mmHg |
Density: | 1.366 g/cm3 |
MDL: | MFCD05663693 |
LogP: | 4.21520 |
Publication Number | Title | Priority Date |
CN-106631983-A | Toluylene-unit-based dendritic compound and organic electroluminescent device | 20161223 |
US-2019233420-A1 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
US-10793568-B2 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
US-2021017177-A1 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
EP-3504205-B1 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
PMID | Publication Date | Title | Journal |
21201927 | 20080215 | 5-(4-Bromo-benzyl-idene)-5H-dibenzo[a,d][7]annulene | Acta crystallographica. Section E, Structure reports online |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.00204 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.00204 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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