| CAS Number | 1375069-38-7 |
| Catalog Number | AG0013GD(AGN-PC-0WA6A2) |
| Chemical Name | 2-Bromo-6-(pyrrolidin-1-yl)benzaldehyde |
| IUPAC Name | 2-bromo-6-pyrrolidin-1-ylbenzaldehyde |
| InChI | InChI=1S/C11H12BrNO/c12-10-4-3-5-11(9(10)8-14)13-6-1-2-7-13/h3-5,8H,1-2,6-7H2 |
| InChI Key | IAKLFSBFDYBQIJ-UHFFFAOYSA-N |
| MDL Number | MFCD22205829 |
| Molecular Formula | C11H12BrNO |
| Molecular Weight | 254.1231 |
| SMILES | O=Cc1c(Br)cccc1N1CCCC1 |
| Synonyms | 2-Bromo-6-(pyrrolidin-1-yl)benzaldehyde,
1375069-38-7,
ACMC-209ce5,
CTK8B0685,
DTXSID50743016,
ANW-20331,
MFCD22205829,
ZINC85477266,
AJ-127828,
TC-109076,
Benzaldehyde, 2-bromo-6-(1-pyrrolidinyl)-,
V2773,
C11H12BrNO,
B-8860,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.127g/mol |
| Monoisotopic Mass | 253.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number