2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile - CAS 1201643-73-3
Catalog: |
BB004738 |
Product Name: |
2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile |
CAS: |
1201643-73-3 |
Synonyms: |
2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile; 2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile |
IUPAC Name: | 2-[4-(bromomethyl)phenyl]-2-methylpropanenitrile |
Description: | 2-[4-(Bromomethyl)phenyl]-2-methylpropanenitrile (CAS# 1201643-73-3) is a useful research chemical. |
Molecular Weight: | 238.12 |
Molecular Formula: | C11H12BrN |
Canonical SMILES: | CC(C)(C#N)C1=CC=C(C=C1)CBr |
InChI: | InChI=1S/C11H12BrN/c1-11(2,8-13)10-5-3-9(7-12)4-6-10/h3-6H,7H2,1-2H3 |
InChI Key: | VSTXAWAMUHWZBE-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD20184913 |
LogP: | 3.38268 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-2303890-A2 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
US-2011212053-A1 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
WO-2009155527-A2 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
WO-2009155527-A9 | Phosphatidylinositol 3 kinase inhibitors | 20080619 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.01531 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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