| CAS Number | 1206971-05-2 |
| Catalog Number | AG00IM3A(AGN-PC-0WRAGX) |
| Chemical Name | 6-Bromoindolizine-2-carboxylic acid |
| IUPAC Name | 6-bromoindolizine-2-carboxylic acid |
| InChI | InChI=1S/C9H6BrNO2/c10-7-1-2-8-3-6(9(12)13)4-11(8)5-7/h1-5H,(H,12,13) |
| InChI Key | NJTWQSPKHQNJPH-UHFFFAOYSA-N |
| MDL Number | MFCD22034647 |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.0534 |
| SMILES | O=C(C2=CN1C=C(Br)C=CC1=C2)O |
| Synonyms | 6-bromoindolizine-2-carboxylic acid,
1206971-05-2,
SCHEMBL16240455,
6-Bromo-2-indolizinecarboxylic acid,
ZINC82328051,
AKOS022684047,
MCULE-1339341792,
NE53988,
CS-15491,
CS-0039522,
Z1868316831,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.056g/mol |
| Monoisotopic Mass | 238.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number