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1260803-48-2 | Carbamic acid, N-[3-(fluoromethyl)-3-pyrrolidinyl]-, phenylmethyl ester
CAS No: 1260803-48-2 Catalog No: AG000RB5 MDL No:
Product Description
Catalog Number:
AG000RB5
Chemical Name:
Carbamic acid, N-[3-(fluoromethyl)-3-pyrrolidinyl]-, phenylmethyl ester
CAS Number:
1260803-48-2
Molecular Formula:
C13H17FN2O2
Molecular Weight:
252.2847
IUPAC Name:
benzyl N-[3-(fluoromethyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C13H17FN2O2/c14-9-13(6-7-15-10-13)16-12(17)18-8-11-4-2-1-3-5-11/h1-5,15H,6-10H2,(H,16,17)
InChI Key:
SDOXFJORQOAOFO-UHFFFAOYSA-N
SMILES:
FCC1(CNCC1)NC(=O)OCc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.289g/mol
Monoisotopic Mass:
252.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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