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85085-87-6 | 2-benzo[f]quinolin-2-yl-1H-indene-1,3(2H)-dione, (1-methyl-1H-imidazolyl)methyl derivative
CAS No: 85085-87-6 Catalog No: AG00GCH7 MDL No:
Product Description
Catalog Number:
AG00GCH7
Chemical Name:
2-benzo[f]quinolin-2-yl-1H-indene-1,3(2H)-dione, (1-methyl-1H-imidazolyl)methyl derivative
CAS Number:
85085-87-6
IUPAC Name:
2-[3-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-7H-benzo[f]quinolin-4-id-2-yl]indene-1,3-dione
InChI:
InChI=1S/C27H20N3O2/c1-30-13-12-28-24(30)15-23-21(25-26(31)18-8-4-5-9-19(18)27(25)32)14-20-17-7-3-2-6-16(17)10-11-22(20)29-23/h2-5,7-14,25H,6,15H2,1H3/q-1/p+1
InChI Key:
GSTSPONCHYMWRO-UHFFFAOYSA-O
EC Number:
285-406-8
Properties
Complexity:
1050
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.163g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
419.484g/mol
Monoisotopic Mass:
419.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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