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1353996-05-0 | (S)-1-Benzyl-2-bromomethyl-pyrrolidine
CAS No: 1353996-05-0 Catalog No: AG01ESOK MDL No:
Product Description
Catalog Number:
AG01ESOK
Chemical Name:
(S)-1-Benzyl-2-bromomethyl-pyrrolidine
CAS Number:
1353996-05-0
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
IUPAC Name:
(2S)-1-benzyl-2-(bromomethyl)pyrrolidine
InChI:
InChI=1S/C12H16BrN/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:
KRHSDSJDJCNRNN-LBPRGKRZSA-N
SMILES:
BrC[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:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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