| CAS Number | 1152522-37-6 |
| Catalog Number | AG01A8GF |
| Chemical Name | 2-{[(5-Bromo-2-fluorophenyl)methyl]amino}ethan-1-ol |
| IUPAC Name | 2-[(5-bromo-2-fluorophenyl)methylamino]ethanol |
| InChI | InChI=1S/C9H11BrFNO/c10-8-1-2-9(11)7(5-8)6-12-3-4-13/h1-2,5,12-13H,3-4,6H2 |
| InChI Key | NFRVFGLGQNTTLB-UHFFFAOYSA-N |
| MDL Number | MFCD10692731 |
| Molecular Formula | C9H11BrFNO |
| Molecular Weight | 248.0921 |
| SMILES | OCCNCC1=C(F)C=CC(Br)=C1 |
| Synonyms | 2-{[(5-bromo-2-fluorophenyl)methyl]amino}ethan-1-ol,
1152522-37-6,
AC1Q7D69,
ZINC34937271,
AKOS005204413,
MCULE-8326603756,
NE24845,
EN300-61550,
Z90504924,
2-([(5-bromo-2-fluorophenyl)methyl]amino)ethan-1-ol,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.095g/mol |
| Monoisotopic Mass | 247.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number