2-Bromo-6-morpholinobenzonitrile - CAS 1129540-65-3
Catalog: |
BB062138 |
Product Name: |
2-Bromo-6-morpholinobenzonitrile |
CAS: |
1129540-65-3 |
Synonyms: |
2-Bromo-6-morpholinobenzonitrile; 2-bromo-6-morpholin-4-ylbenzonitrile; 2-Bromo-6-(morpholin-4-yl)benzonitrile |
IUPAC Name: | 2-bromo-6-morpholin-4-ylbenzonitrile |
Description: | 2-Bromo-6-morpholinobenzonitrile (cas# 1129540-65-3) is a useful research chemical. |
Molecular Weight: | 267.12 |
Molecular Formula: | C11H11N2OBr |
Canonical SMILES: | C1COCCN1C2=C(C(=CC=C2)Br)C#N |
InChI: | InChI=1S/C11H11BrN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2 |
InChI Key: | HKIGGSMIIBGCKZ-UHFFFAOYSA-N |
Melting Point: | 115 - 1170C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow 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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