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86215-40-9 | 3-Azabicyclo[3.1.0]hexane,1-(4-bromophenyl)-
CAS No: 86215-40-9 Catalog No: AG004K2G MDL No:
Product Description
Catalog Number:
AG004K2G
Chemical Name:
3-Azabicyclo[3.1.0]hexane,1-(4-bromophenyl)-
CAS Number:
86215-40-9
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
IUPAC Name:
1-(4-bromophenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C11H12BrN/c12-10-3-1-8(2-4-10)11-5-9(11)6-13-7-11/h1-4,9,13H,5-7H2
InChI Key:
KHJRUTSPEDPIBP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C12CNCC2C1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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