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Home > Imidazoles > 57594-20-4
57594-20-4 | 4-(1H-IMIDAZOL-2-YL)PHTHALAZIN-1(2H)-ONE
CAS No: 57594-20-4 Catalog No: AG00EX6X MDL No:MFCD00573033
Product Description
Catalog Number:
AG00EX6X
Chemical Name:
4-(1H-IMIDAZOL-2-YL)PHTHALAZIN-1(2H)-ONE
CAS Number:
57594-20-4
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD00573033
IUPAC Name:
4-(1H-imidazol-2-yl)-2H-phthalazin-1-one
InChI:
InChI=1S/C11H8N4O/c16-11-8-4-2-1-3-7(8)9(14-15-11)10-12-5-6-13-10/h1-6H,(H,12,13)(H,15,16)
InChI Key:
RSHQKXIMSDPOBI-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1cccc2)c1ncc[nH]1
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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