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Home > Other Heterocycles > 17945-94-7
17945-94-7 | 1-Azabicyclo[1.1.0]butane, 3-phenyl-
CAS No: 17945-94-7 Catalog No: AG00270C MDL No:
Product Description
Catalog Number:
AG00270C
Chemical Name:
1-Azabicyclo[1.1.0]butane, 3-phenyl-
CAS Number:
17945-94-7
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
IUPAC Name:
3-phenyl-1-azabicyclo[1.1.0]butane
InChI:
InChI=1S/C9H9N/c1-2-4-8(5-3-1)9-6-10(9)7-9/h1-5H,6-7H2
InChI Key:
HYSAJZJNEJKIMJ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12CN2C1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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