| CAS Number | 1260663-30-6 |
| Catalog Number | AG01A5I0(AGN-PC-0WO7QW) |
| Chemical Name | 6-Bromo-1H,2H,3H-pyrrolo[3,2-b]pyridine |
| IUPAC Name | 6-bromo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine |
| InChI | InChI=1S/C7H7BrN2/c8-5-3-7-6(10-4-5)1-2-9-7/h3-4,9H,1-2H2 |
| InChI Key | BIRKDOWDMXGMJW-UHFFFAOYSA-N |
| MDL Number | MFCD18250825 |
| Molecular Formula | C7H7BrN2 |
| Molecular Weight | 199.0479 |
| SMILES | BrC1=CC(NCC2)=C2N=C1 |
| Synonyms | 1260663-30-6,
6-BROMO-2,3-DIHYDRO-1H-PYRROLO[3,2-B]PYRIDINE,
6-bromo-1H,2H,3H-pyrrolo[3,2-b]pyridine,
1h-pyrrolo[3,2-b]pyridine,6-bromo-2,3-dihydro-,
SCHEMBL20595611,
ZINC89212377,
AKOS023833273,
AB73731,
F8889-5099,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.051g/mol |
| Monoisotopic Mass | 197.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 24.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number