| CAS Number | 952800-36-1 |
| Catalog Number | AG00IIWZ(AGN-PC-0WCKIG) |
| Chemical Name | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 7-chloro-, methyl ester |
| IUPAC Name | methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C9H7ClN2O2/c1-14-9(13)7-4-6-8(12-7)5(10)2-3-11-6/h2-4,12H,1H3 |
| InChI Key | DQBUZBSXMBSOIM-UHFFFAOYSA-N |
| MDL Number | MFCD09864652 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | Clc1c2c(cc([nH]2)C(=O)OC)ncc1 |
| Synonyms | Methyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate,
952800-36-1,
Methyl 7-chloro-1H-pyrrolo-[3,2-b]pyridine-2-carboxylate,
DTXSID40662722,
ZX-AT013538,
MFCD09864652,
ZINC37593642,
AKOS015945661,
FCH1394372,
OR41123,
PB14756,
AS-50655,
AB0049930,
CS-0048916,
Q-3321,
7-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLIC ACID METHYL ESTER,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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