Home Halogens tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate

CAS No.:
1427380-78-6
Catalog Number:
AG01A3PW
Molecular Formula:
C16H22ClNO3
Molecular Weight:
311.8038
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Product Description
Catalog Number:
AG01A3PW
Chemical Name:
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CAS Number:
1427380-78-6
Molecular Formula:
C16H22ClNO3
Molecular Weight:
311.8038
MDL Number:
MFCD23144059
IUPAC Name:
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H22ClNO3/c1-15(2,3)21-14(19)18-8-7-16(20,11-18)10-12-5-4-6-13(17)9-12/h4-6,9,20H,7-8,10-11H2,1-3H3
InChI Key:
OJCKLYBJYLDRFS-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CC1(O)CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.129g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
311.806g/mol
Monoisotopic Mass:
311.129g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties