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Home > Bromides > 1280786-96-0
1280786-96-0 | Pyrrolidine, 1-[(4-bromophenyl)phenylmethyl]-
CAS No: 1280786-96-0 Catalog No: AG000XS6 MDL No:MFCD18783207
Product Description
Catalog Number:
AG000XS6
Chemical Name:
Pyrrolidine, 1-[(4-bromophenyl)phenylmethyl]-
CAS Number:
1280786-96-0
Molecular Formula:
C17H18BrN
Molecular Weight:
316.2355
MDL Number:
MFCD18783207
IUPAC Name:
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
InChI:
InChI=1S/C17H18BrN/c18-16-10-8-15(9-11-16)17(19-12-4-5-13-19)14-6-2-1-3-7-14/h1-3,6-11,17H,4-5,12-13H2
InChI Key:
DFLJXKKHZUELSW-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccccc1)N1CCCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.242g/mol
Monoisotopic Mass:
315.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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