| CAS Number | 101602-31-7 |
| Catalog Number | AG0004YQ(AGN-PC-06S6TM) |
| Chemical Name | QUINOLINE, 4-CHLORO-6,8-DIMETHYL-2-PHENYL- |
| IUPAC Name | 4-chloro-6,8-dimethyl-2-phenylquinoline |
| InChI | InChI=1S/C17H14ClN/c1-11-8-12(2)17-14(9-11)15(18)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChI Key | MCCJMSALUBTGDI-UHFFFAOYSA-N |
| MDL Number | MFCD12674825 |
| Molecular Formula | C17H14ClN |
| Molecular Weight | 267.7528 |
| SMILES | CC1=C2N=C(C3=CC=CC=C3)C=C(Cl)C2=CC(C)=C1 |
| Synonyms | 4-Chloro-6,8-dimethyl-2-phenylquinoline,
101602-31-7,
DTXSID40656303,
MFCD12674825,
ZINC36075419,
IMED445295021,
OR309307,
T6106,
Quinoline, 4-chloro-6,8-dimethyl-2-phenyl-,
4-Chloro-6,8-dimethyl-2-phenylquinoline, AldrichCPR,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.756g/mol |
| Monoisotopic Mass | 267.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318-H413
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number