CAS
924883-37-4 Purity
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924883-37-4 Purity
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(R)-1-Boc-2-[(2-fluoro-phenylamino)-methyl]-pyrrolidine
CAS
924907-26-6
Catalog Number
ACM924907266
Category
Other Products
Molecular Weight
294.36
Molecular Formula
C16H23FN2O2
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Specification
Synonyms
(R)-1-BOC-2-[(2-FLUORO-PHENYLAMINO)-METHYL]-PYRROLIDINE
What is the molecular formula of the compound?
The molecular formula of the compound is C16H23FN2O2.
What is the molecular weight of the compound?
The molecular weight of the compound is 294.36 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is tert-butyl (2R)-2-[(2-fluoroanilino)methyl]pyrrolidine-1-carboxylate.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-10-6-7-12(19)11-18-14-9-5-4-8-13(14)17/h4-5,8-9,12,18H,6-7,10-11H2,1-3H3/t12-/m1/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is JMBRJZPOMZWSJC-GFCCVEGCSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)(C)OC(=O)N1CCCC1CNC2=CC=CC=C2F.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
92491-67-3 Purity
96%
92491-67-3 Purity
96%
