| CAS Number | 205114-17-6 |
| Catalog Number | AG0029VE(AGN-PC-0BF556) |
| Chemical Name | 6-Quinolinecarboxylic acid, 3-bromo-, methyl ester |
| IUPAC Name | methyl 3-bromoquinoline-6-carboxylate |
| InChI | InChI=1S/C11H8BrNO2/c1-15-11(14)7-2-3-10-8(4-7)5-9(12)6-13-10/h2-6H,1H3 |
| InChI Key | IQKJYNVCQVDCOU-UHFFFAOYSA-N |
| MDL Number | MFCD19704209 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | O=C(C1=CC=C2N=CC(Br)=CC2=C1)OC |
| Synonyms | methyl 3-bromoquinoline-6-carboxylate,
205114-17-6,
6-Quinolinecarboxylic acid, 3-bromo-, methyl ester,
SCHEMBL1680401,
IQKJYNVCQVDCOU-UHFFFAOYSA-N,
methyl3-bromoquinoline-6-carboxylate,
9027AF,
MFCD19704209,
Methyl 3-bromo-6-quinolinecarboxylate,
ZINC116841684,
methyl 3-bromo-quinoline-6-carboxylate,
AK174461,
AS-32825,
6-Quinolinecarboxylicacid,3-bromo-,methylester,
3-Bromo-quinoline-6-carboxylic acid methyl ester,
C11H8BrNO2,
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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 | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number