3-Bromo-5-cyanobenzoyl Chloride - CAS 1261438-82-7
Catalog: |
BB006497 |
Product Name: |
3-Bromo-5-cyanobenzoyl Chloride |
CAS: |
1261438-82-7 |
Synonyms: |
3-bromo-5-cyanobenzoyl chloride; 3-bromo-5-cyanobenzoyl chloride |
IUPAC Name: | 3-bromo-5-cyanobenzoyl chloride |
Description: | 3-Bromo-5-cyanobenzoyl Chloride (CAS# 1261438-82-7 ) is a useful research chemical. |
Molecular Weight: | 244.47 |
Molecular Formula: | C8H3BrClNO |
Canonical SMILES: | C1=C(C=C(C=C1C(=O)Cl)Br)C#N |
InChI: | InChI=1S/C8H3BrClNO/c9-7-2-5(4-11)1-6(3-7)8(10)12/h1-3H |
InChI Key: | AMYHKUMWLMUPHR-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2006189661-A1 | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | 20031103 |
CA-2438991-C | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | 20010221 |
CN-1332959-C | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | 20010221 |
CN-1649865-A | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | 20010221 |
CN-1853630-A | Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists | 20010221 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.90865 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.90865 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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