5-Bromo-2-(morpholino)benzonitrile - CAS 1105665-08-4
Catalog: |
BB055402 |
Product Name: |
5-Bromo-2-(morpholino)benzonitrile |
CAS: |
1105665-08-4 |
Synonyms: |
5-Bromo-2-(morpholino)benzonitrile; 5-bromo-2-morpholinobenzonitrile; 5-bromo-2-morpholin-4-ylbenzonitrile |
IUPAC Name: | 5-bromo-2-morpholin-4-ylbenzonitrile |
Description: | 5-Bromo-2-(morpholino)benzonitrile (cas# 1105665-08-4) is a useful research chemical. |
Molecular Weight: | 267.12 |
Molecular Formula: | C11H11N2OBr |
Canonical SMILES: | C1COCCN1C2=C(C=C(C=C2)Br)C#N |
InChI: | InChI=1S/C11H11BrN2O/c12-10-1-2-11(9(7-10)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6H2 |
InChI Key: | IENSJQPUDLLAOI-UHFFFAOYSA-N |
Melting Point: | 56 - 59°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Hygroscopic |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.00548 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.00548 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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