| CAS Number | 1255098-82-8 |
| Catalog Number | AG000NRS(AGN-PC-0WBS6H) |
| Chemical Name | 1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester |
| IUPAC Name | ethyl 5-bromo-1H-pyrrolo[3,2-b]pyridine-2-carboxylate |
| InChI | InChI=1S/C10H9BrN2O2/c1-2-15-10(14)8-5-7-6(12-8)3-4-9(11)13-7/h3-5,12H,2H2,1H3 |
| InChI Key | BDJZZKVOBJHYTD-UHFFFAOYSA-N |
| MDL Number | MFCD17926298 |
| Molecular Formula | C10H9BrN2O2 |
| Molecular Weight | 269.0947 |
| SMILES | O=C(C1=CC2=NC(Br)=CC=C2N1)OCC |
| Synonyms | 1255098-82-8,
ETHYL 5-BROMO-1H-PYRROLO[3,2-B]PYRIDINE-2-CARBOXYLATE,
ETHYL 5-BROMO-4-AZAINDOLE-2-CARBOXYLATE,
SCHEMBL7920033,
DTXSID20695139,
MFCD17926298,
ZINC66054663,
AKOS025291166,
PB25658,
KS-000006O7,
AK171546,
AS-35599,
CS-0049445,
Q-2596,
5-Bromo-4-azaindole-2-carboxylic acid ethyl ester,
1H-Pyrrolo[3,2-b]pyridine-2-carboxylic acid, 5-bromo-, ethyl ester,
BDJZZKVOBJHYTD-UHFFFAOYSA-N,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.098g/mol |
| Monoisotopic Mass | 267.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number