4-(4-Bromobenzoyl)benzonitrile - CAS 452929-54-3
Catalog: |
BB025824 |
Product Name: |
4-(4-Bromobenzoyl)benzonitrile |
CAS: |
452929-54-3 |
Synonyms: |
4-[(4-bromophenyl)-oxomethyl]benzonitrile; 4-(4-bromobenzoyl)benzonitrile |
IUPAC Name: | 4-(4-bromobenzoyl)benzonitrile |
Description: | 4-(4-Bromobenzoyl)benzonitrile (CAS# 452929-54-3) is a useful research chemical compound. |
Molecular Weight: | 286.12 |
Molecular Formula: | C14H8BrNO |
Canonical SMILES: | C1=CC(=CC=C1C#N)C(=O)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C14H8BrNO/c15-13-7-5-12(6-8-13)14(17)11-3-1-10(9-16)2-4-11/h1-8H |
InChI Key: | YRVOJWYIXLYAEO-UHFFFAOYSA-N |
Boiling Point: | 425.4 °C at 760 mmHg |
Density: | 1.53 g/cm3 |
MDL: | MFCD00672021 |
LogP: | 3.55178 |
Publication Number | Title | Priority Date |
CA-2434648-A1 | (diazolo-pyridinyl)-pyrimidines for use in treatment of cns disorders and diabetes | 20010220 |
CZ-20032235-A3 | New pyrimidine compounds | 20010220 |
EP-1373266-A2 | (diazolo-pyridinyl)-pyrimidines for use in treatment of cns disorders and diabetes | 20010220 |
HU-0303254-A2 | New pyrimidine compounds, a process for their preparation and pharmaceutical compositions containing them | 20010220 |
JP-2004527486-A | New pyrimidine compounds | 20010220 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.97893 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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