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892493-69-5 | (2S)-1-benzyl-2-(iodomethyl)pyrrolidine
CAS No: 892493-69-5 Catalog No: AG00NGCM MDL No:MFCD21097842
Product Description
Catalog Number:
AG00NGCM
Chemical Name:
(2S)-1-benzyl-2-(iodomethyl)pyrrolidine
CAS Number:
892493-69-5
Molecular Formula:
C12H16IN
Molecular Weight:
301.1666
MDL Number:
MFCD21097842
IUPAC Name:
(2S)-1-benzyl-2-(iodomethyl)pyrrolidine
InChI:
InChI=1S/C12H16IN/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChI Key:
OYXJPVWLDOOCFX-LBPRGKRZSA-N
SMILES:
IC[C@@H]1CCCN1Cc1ccccc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
301.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.171g/mol
Monoisotopic Mass:
301.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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