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Home > Other Heterocycles > 88738-06-1
88738-06-1 | 2,3-Diazabicyclo[2.2.1]hept-2-ene, 7-(phenylmethylene)-
CAS No: 88738-06-1 Catalog No: AG004FW2 MDL No:
Product Description
Catalog Number:
AG004FW2
Chemical Name:
2,3-Diazabicyclo[2.2.1]hept-2-ene, 7-(phenylmethylene)-
CAS Number:
88738-06-1
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
7-benzylidene-2,3-diazabicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C12H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12(10)14-13-11/h1-5,8,11-12H,6-7H2
InChI Key:
LVKAJTNVUYDMQT-UHFFFAOYSA-N
SMILES:
C1CC2C(=Cc3ccccc3)C1N=N2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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