| CAS Number | 864415-55-4 |
| Catalog Number | AG008GCC(AGN-PC-0WB3AN) |
| Chemical Name | [1-(4-fluorobenzyl)pyrrolidin-2-yl]methanol |
| IUPAC Name | [1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol |
| InChI | InChI=1S/C12H16FNO/c13-11-5-3-10(4-6-11)8-14-7-1-2-12(14)9-15/h3-6,12,15H,1-2,7-9H2 |
| InChI Key | GNRVSNDRVLFXJD-UHFFFAOYSA-N |
| MDL Number | MFCD01652941 |
| Molecular Formula | C12H16FNO |
| Molecular Weight | 209.2599 |
| SMILES | N1(CCCC1CO)CC1=CC=C(C=C1)F |
| Synonyms | 864415-55-4,
[1-(4-fluorobenzyl)pyrrolidin-2-yl]methanol,
[1-(4-fluorobenzyl)-2-pyrrolidinyl]methanol,
(1-(4-Fluorobenzyl)pyrrolidin-2-yl)methanol,
AC1MX9EP,
AC1Q7C9R,
[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanol,
CTK8E2907,
DTXSID10396764,
MFCD01652941,
AKOS000123023,
AKOS017268711,
MCULE-7794404752,
DB-028365,
RT-011007,
FT-0755373,
EN300-09503,
(1-(4-Fluorobenzyl)pyrrolidin-2-yl) methanol,
W-8489,
[1- PYRROLIDIN-2-YL]METHANOL,
CID3812046,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.264g/mol |
| Monoisotopic Mass | 209.122g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 23.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
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