| CAS Number | 114935-92-1 |
| Catalog Number | AG000FGG(AGN-PC-0267WZ) |
| Chemical Name | 2-Quinolinecarboxylic acid, 4-chloro-, methyl ester |
| IUPAC Name | methyl 4-chloroquinoline-2-carboxylate |
| InChI | InChI=1S/C11H8ClNO2/c1-15-11(14)10-6-8(12)7-4-2-3-5-9(7)13-10/h2-6H,1H3 |
| InChI Key | AAHYMHHQOLSODU-UHFFFAOYSA-N |
| MDL Number | MFCD14706446 |
| Molecular Formula | C11H8ClNO2 |
| Molecular Weight | 221.6397 |
| SMILES | O=C(C1=NC2=CC=CC=C2C(Cl)=C1)OC |
| Synonyms | METHYL 4-CHLOROQUINOLINE-2-CARBOXYLATE,
114935-92-1,
Methyl4-Chloroquinoline-2-carboxylate,
SCHEMBL3281879,
KS-00000BWD,
AAHYMHHQOLSODU-UHFFFAOYSA-N,
MFCD14706446,
ZINC62152064,
AKOS012682291,
NE39714,
CS-12015,
SY035692,
AJ-114090,
FT-0723058,
EN300-74763,
MFCD14706446 (95%),
4-Chloro-quinoline-2-carboxylic acid methyl ester,
2-Quinolinecarboxylic acid, 4-chloro-, methyl ester,
I14-12515,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.64g/mol |
| Monoisotopic Mass | 221.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number