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84391-39-9 | 1(2H)-Naphthalenone,3,4-dihydro-2-(1H-imidazol-1-yl)-
CAS No: 84391-39-9 Catalog No: AG0055RK MDL No:
Product Description
Catalog Number:
AG0055RK
Chemical Name:
1(2H)-Naphthalenone,3,4-dihydro-2-(1H-imidazol-1-yl)-
CAS Number:
84391-39-9
Molecular Formula:
C13H12N2O
Molecular Weight:
212.2472
IUPAC Name:
2-imidazol-1-yl-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C13H12N2O/c16-13-11-4-2-1-3-10(11)5-6-12(13)15-8-7-14-9-15/h1-4,7-9,12H,5-6H2
InChI Key:
GQRADTVKEIYYAK-UHFFFAOYSA-N
SMILES:
O=C1C(CCc2c1cccc2)n1cncc1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.252g/mol
Monoisotopic Mass:
212.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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