Benzyl 2,4-dibromobutyrate - CAS 50712-74-8
Catalog: |
BB027191 |
Product Name: |
Benzyl 2,4-dibromobutyrate |
CAS: |
50712-74-8 |
Synonyms: |
benzyl 2,4-dibromobutanoate |
IUPAC Name: | benzyl 2,4-dibromobutanoate |
Description: | Benzyl 2,4-dibromobutyrate (CAS# 50712-74-8 ) is a useful research chemical. |
Molecular Weight: | 336.02 |
Molecular Formula: | C11H12Br2O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)C(CCBr)Br |
InChI: | InChI=1S/C11H12Br2O2/c12-7-6-10(13)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChI Key: | XQJJSEGHTSUQBZ-UHFFFAOYSA-N |
Boiling Point: | 360.1 °C at 760 mmHg |
Density: | 1.63 g/cm3 |
LogP: | 3.27830 |
GHS Hazard Statement: | H315: Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P201, P202, P261, P264, P272, P273, P280, P281, P302+P352, P308+P313, P321, P332+P313, P333+P313, P362, P363, P391, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-105705494-B | Quinazoline derivant and its pharmaceutical composition, and the purposes as medicine | 20130718 |
CN-107892684-A | Quinazoline derivant and its pharmaceutical composition, and the purposes as medicine | 20130718 |
CN-107892684-B | Quinazoline derivatives, pharmaceutical compositions thereof, and use as medicaments | 20130718 |
EP-3022186-A1 | Quinazoline derivatives, compositions thereof, and use as pharmaceuticals | 20130718 |
EP-3022186-B1 | Quinazoline derivatives, compositions thereof, and use as pharmaceuticals | 20130718 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 335.91836 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 333.9204 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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