| CAS Number | 854860-15-4 |
| Catalog Number | AG00IDOL(AGN-PC-0WQWYD) |
| Chemical Name | 6-Chloro-2-cyclopropylquinoline-4-carboxylic acid |
| IUPAC Name | 6-chloro-2-cyclopropylquinoline-4-carboxylic acid |
| InChI | InChI=1S/C13H10ClNO2/c14-8-3-4-11-9(5-8)10(13(16)17)6-12(15-11)7-1-2-7/h3-7H,1-2H2,(H,16,17) |
| InChI Key | NQFVACCQTKXGON-UHFFFAOYSA-N |
| MDL Number | MFCD03420133 |
| Molecular Formula | C13H10ClNO2 |
| Molecular Weight | 247.6770 |
| SMILES | OC(C1=C2C(C=CC(=C2)Cl)=NC(C2CC2)=C1)=O |
| Synonyms | 6-chloro-2-cyclopropylquinoline-4-carboxylic acid,
854860-15-4,
AC1MPFJZ,
SCHEMBL16832592,
CTK6H1841,
ZINC3757112,
BBL021635,
MFCD03420133,
STK894349,
AKOS000138723,
MCULE-9681781273,
H8942,
Z685656896,
CID3434455,
6-chloro-2-cyclopropyl-quinoline-4-carboxylic Acid,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.678g/mol |
| Monoisotopic Mass | 247.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number