5-Bromo-2-pyrrolidinobenzaldehyde - CAS 742099-40-7
Catalog: |
BB071504 |
Product Name: |
5-Bromo-2-pyrrolidinobenzaldehyde |
CAS: |
742099-40-7 |
Synonyms: |
5-Bromo-2-(pyrrolidin-1-yl)benzaldehyde; 5-Bromo-2-pyrrolidinobenzaldehyde; 5-bromo-2-pyrrolidin-1-ylbenzaldehyde; 2-Pyrrolizino-5-bromobenzaldehyde |
IUPAC Name: | 5-bromo-2-pyrrolidin-1-ylbenzaldehyde |
Description: | 5-Bromo-2-pyrrolidinobenzaldehyde |
Molecular Weight: | 254.12 |
Molecular Formula: | C11H12BrNO |
Canonical SMILES: | C1CCN(C1)C2=C(C=C(C=C2)Br)C=O |
InChI: | InChI=1S/C11H12BrNO/c12-10-3-4-11(9(7-10)8-14)13-5-1-2-6-13/h3-4,7-8H,1-2,5-6H2 |
InChI Key: | JARYZLUYHJBEER-UHFFFAOYSA-N |
Complexity: | 204 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.01023 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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