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1289585-27-8 | 1-Pyrrolidinecarboxylic acid, 3-chloro-, 1,1-dimethylethyl ester, (3R)-
CAS No: 1289585-27-8 Catalog No: AG000YQ4 MDL No:MFCD18837082
Product Description
Catalog Number:
AG000YQ4
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-chloro-, 1,1-dimethylethyl ester, (3R)-
CAS Number:
1289585-27-8
Molecular Formula:
C9H16ClNO2
Molecular Weight:
205.6818
MDL Number:
MFCD18837082
IUPAC Name:
tert-butyl (3R)-3-chloropyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16ClNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
InChI Key:
BFJADPWUALFXHF-SSDOTTSWSA-N
SMILES:
Cl[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.682g/mol
Monoisotopic Mass:
205.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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