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Home > Bromides > 1158764-56-7
1158764-56-7 | Pyrrolidine, 3-[(4-bromophenyl)methyl]-
CAS No: 1158764-56-7 Catalog No: AG000H0K MDL No:MFCD07383422
Product Description
Catalog Number:
AG000H0K
Chemical Name:
Pyrrolidine, 3-[(4-bromophenyl)methyl]-
CAS Number:
1158764-56-7
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
MDL Number:
MFCD07383422
IUPAC Name:
3-[(4-bromophenyl)methyl]pyrrolidine
InChI:
InChI=1S/C11H14BrN/c12-11-3-1-9(2-4-11)7-10-5-6-13-8-10/h1-4,10,13H,5-8H2
InChI Key:
SKTDQMROVIRPEQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CC1CNCC1
Properties
Complexity:
152
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:
1
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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