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845866-72-0 | 2,5-Diazabicyclo[2.2.1]heptane,2-[(4-bromophenyl)methyl]-
CAS No: 845866-72-0 Catalog No: AG004QZQ MDL No:
Product Description
Catalog Number:
AG004QZQ
Chemical Name:
2,5-Diazabicyclo[2.2.1]heptane,2-[(4-bromophenyl)methyl]-
CAS Number:
845866-72-0
Molecular Formula:
C12H15BrN2
Molecular Weight:
267.1649
IUPAC Name:
2-[(4-bromophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C12H15BrN2/c13-10-3-1-9(2-4-10)7-15-8-11-5-12(15)6-14-11/h1-4,11-12,14H,5-8H2
InChI Key:
DFNLSVZTQANOAP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)CN1CC2CC1CN2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.17g/mol
Monoisotopic Mass:
266.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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