1-Bromo-4-(2-isocyanatoethyl)benzene - CAS 581812-65-9
Catalog: |
BB029961 |
Product Name: |
1-Bromo-4-(2-isocyanatoethyl)benzene |
CAS: |
581812-65-9 |
Synonyms: |
1-bromo-4-(2-isocyanatoethyl)benzene; 1-bromo-4-(2-isocyanatoethyl)benzene |
IUPAC Name: | 1-bromo-4-(2-isocyanatoethyl)benzene |
Description: | 1-Bromo-4-(2-isocyanatoethyl)benzene (CAS# 581812-65-9 ) is a useful research chemical. |
Molecular Weight: | 226.07 |
Molecular Formula: | C9H8BrNO |
Canonical SMILES: | C1=CC(=CC=C1CCN=C=O)Br |
InChI: | InChI=1S/C9H8BrNO/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2 |
InChI Key: | OJKQPPXUOKGDFT-UHFFFAOYSA-N |
LogP: | 0.00000 |
Publication Number | Title | Priority Date |
EP-3107945-A1 | Post-modified polycarbodiimides | 20140220 |
EP-3107946-A1 | A polyiso-urea | 20140220 |
WO-2015127038-A1 | Post-modified polycarbodiimides | 20140220 |
WO-2015127041-A1 | A polyiso-urea | 20140220 |
EP-2683678-A1 | Process for asymetric methylallylation in the presence of a 2, 2 ' - substituted 1, 1 ' -bi - 2 -naphthol catalyst | 20110307 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.97893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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