2-Bromo-4-methylphenylacetonitrile - CAS 1069114-80-2
Catalog: |
BB001943 |
Product Name: |
2-Bromo-4-methylphenylacetonitrile |
CAS: |
1069114-80-2 |
Synonyms: |
2-(2-bromo-4-methylphenyl)acetonitrile; 2-(2-bromo-4-methylphenyl)acetonitrile |
IUPAC Name: | 2-(2-bromo-4-methylphenyl)acetonitrile |
Description: | 2-Bromo-4-methylphenylacetonitrile (CAS# 1069114-80-2 ) is a useful research chemical. |
Molecular Weight: | 210.07 |
Molecular Formula: | C9H8BrN |
Canonical SMILES: | CC1=CC(=C(C=C1)CC#N)Br |
InChI: | InChI=1S/C9H8BrN/c1-7-2-3-8(4-5-11)9(10)6-7/h2-3,6H,4H2,1H3 |
InChI Key: | QVPPXJQQEUZIHP-UHFFFAOYSA-N |
MDL: | MFCD18392226 |
LogP: | 2.82358 |
Publication Number | Title | Priority Date |
CN-104628643-A | Preparation method of isoquinolone and derivatives thereof | 20150217 |
CN-104628643-B | A kind of isoquinolines and the preparation method of derivative thereof | 20150217 |
CN-104016929-A | Synthesis method of quinazolin-4(3H)-ketone | 20140625 |
CN-104016929-B | A kind of method of synthesis quinazoline-4 (3H)-one | 20140625 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.98401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.98401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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