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168820-15-3 | Pyrrolidine, 1-[(3-bromophenyl)methyl]-
CAS No: 168820-15-3 Catalog No: AG001YBI MDL No:MFCD06080721
Product Description
Catalog Number:
AG001YBI
Chemical Name:
Pyrrolidine, 1-[(3-bromophenyl)methyl]-
CAS Number:
168820-15-3
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
MDL Number:
MFCD06080721
IUPAC Name:
1-[(3-bromophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14BrN/c12-11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8H,1-2,6-7,9H2
InChI Key:
LSOHXSNZFGGNPZ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)CN1CCCC1
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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