Ethyl 2-Bromo-2-cyanoacetate - CAS 1187-46-8
Catalog: |
BB004252 |
Product Name: |
Ethyl 2-Bromo-2-cyanoacetate |
CAS: |
1187-46-8 |
Synonyms: |
2-bromo-2-cyanoacetic acid ethyl ester; ethyl 2-bromo-2-cyanoacetate |
IUPAC Name: | ethyl 2-bromo-2-cyanoacetate |
Description: | Ethyl 2-Bromo-2-cyanoacetate (CAS# 1187-46-8 ) is a useful research chemical. |
Molecular Weight: | 192.01 |
Molecular Formula: | C5H6BrNO2 |
Canonical SMILES: | CCOC(=O)C(C#N)Br |
InChI: | InChI=1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3 |
InChI Key: | QFGBTDLJOFKSQL-UHFFFAOYSA-N |
Boiling Point: | 208.6 °C at 760 mmHg |
Density: | 1.58 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.83658 |
Publication Number | Title | Priority Date |
US-2012149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | 20090827 |
CA-1216849-A | Quinolone acids, processes for their preparation and antibacterial agents containing these compounds | 19830225 |
EP-0117474-A1 | Quinolone carboxylic acids, process for their preparation and antibacterial compositions containing them | 19830225 |
IE-56924-B1 | Quinolone carboxylic acids,processes for their preparation and antibacterial agents containing these compounds | 19830225 |
KR-870000891-B1 | Process for preparing quinolone carboxylic acid | 19830225 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.95819 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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