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86215-50-1 | 3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-
CAS No: 86215-50-1 Catalog No: AG004K2E MDL No:
Product Description
Catalog Number:
AG004K2E
Chemical Name:
3-Azabicyclo[3.1.0]hexane, 1-(3-bromo-4-methoxyphenyl)-
CAS Number:
86215-50-1
Molecular Formula:
C12H14BrNO
Molecular Weight:
268.1497
IUPAC Name:
1-(3-bromo-4-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
InChI:
InChI=1S/C12H14BrNO/c1-15-11-3-2-8(4-10(11)13)12-5-9(12)6-14-7-12/h2-4,9,14H,5-7H2,1H3
InChI Key:
NJVGDJHEBAHABZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C12CNCC2C1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.154g/mol
Monoisotopic Mass:
267.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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