4-Bromo-6-ethyl-2-methylquinoline - CAS 1070879-44-5
Catalog: |
BB001970 |
Product Name: |
4-Bromo-6-ethyl-2-methylquinoline |
CAS: |
1070879-44-5 |
Synonyms: |
4-bromo-6-ethyl-2-methylquinoline |
IUPAC Name: | 4-bromo-6-ethyl-2-methylquinoline |
Description: | 4-Bromo-6-ethyl-2-methylquinoline (CAS# 1070879-44-5) is a useful research chemical. |
Molecular Weight: | 250.13 |
Molecular Formula: | C12H12BrN |
Canonical SMILES: | CCC1=CC2=C(C=C1)N=C(C=C2Br)C |
InChI: | InChI=1S/C12H12BrN/c1-3-9-4-5-12-10(7-9)11(13)6-8(2)14-12/h4-7H,3H2,1-2H3 |
InChI Key: | ALBMSDIUFYWOPN-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.86810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.01531 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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