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Home > Fluorides > 1818843-16-1
1818843-16-1 | Carbamic acid, N-[[(2R,4R)-4-fluoro-2-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1818843-16-1 Catalog No: AG00236B MDL No:
Product Description
Catalog Number:
AG00236B
Chemical Name:
Carbamic acid, N-[[(2R,4R)-4-fluoro-2-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1818843-16-1
Molecular Formula:
C10H20ClFN2O2
Molecular Weight:
254.7294
IUPAC Name:
tert-butyl N-[[(2R,4R)-4-fluoropyrrolidin-2-yl]methyl]carbamate;hydrochloride
InChI:
InChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)13-6-8-4-7(11)5-12-8;/h7-8,12H,4-6H2,1-3H3,(H,13,14);1H/t7-,8-;/m1./s1
InChI Key:
ZFUOQMCJMKAZMC-SCLLHFNJSA-N
SMILES:
F[C@H]1CN[C@H](C1)CNC(=O)OC(C)(C)C.Cl
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
254.12g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.73g/mol
Monoisotopic Mass:
254.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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