1-(4-Bromophenyl)-5-oxopyrrolidine-3-carboxylic acid - CAS 91348-51-5
Catalog: |
BB071286 |
Product Name: |
1-(4-Bromophenyl)-5-oxopyrrolidine-3-carboxylic acid |
CAS: |
91348-51-5 |
Synonyms: |
1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid; 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylic acid; 1-(4-Bromo-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid |
IUPAC Name: | 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Description: | 1-(4-Bromophenyl)-5-oxopyrrolidine-3-carboxylic acid |
Molecular Weight: | 284.11 |
Molecular Formula: | C11H10BrNO3 |
Canonical SMILES: | C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)O |
InChI: | InChI=1S/C11H10BrNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16) |
InChI Key: | MDFOXHGBFTXKQL-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.98441 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.98441 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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