| CAS Number | 1419101-12-4 |
| Catalog Number | AG00HW9C(AGN-PC-0WCKL8) |
| Chemical Name | 3-Bromo-8-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 3-bromo-7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H8BrClN2O2/c1-2-16-10(15)9-6(11)8-7(14-9)5(12)3-4-13-8/h3-4,14H,2H2,1H3 |
| InChI Key | XFLVYLVKFXWMFO-UHFFFAOYSA-N |
| MDL Number | MFCD23106481 |
| Molecular Formula | C10H8BrClN2O2 |
| Molecular Weight | 303.5397 |
| SMILES | CCOC(=O)c1[nH]c2c(Cl)ccnc2c1Br |
| Synonyms | 1419101-12-4,
3-Bromo-8-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid ethyl ester,
ethyl 3-bromo-7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate,
MFCD23106481,
AKOS027250909,
ZINC206025145,
PB37430,
SB10927,
AS-51904,
CS-0049489,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.54g/mol |
| Monoisotopic Mass | 301.946g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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