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119237-62-6 | Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dichlorophenyl)-3,7,8-trimethyl-
CAS No: 119237-62-6 Catalog No: AG000IFH MDL No:
Product Description
Catalog Number:
AG000IFH
Chemical Name:
Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dichlorophenyl)-3,7,8-trimethyl-
CAS Number:
119237-62-6
Molecular Formula:
C19H14Cl2N4O2
Molecular Weight:
401.2461
IUPAC Name:
10-(3,5-dichlorophenyl)-3,7,8-trimethylbenzo[g]pteridine-2,4-dione
InChI:
InChI=1S/C19H14Cl2N4O2/c1-9-4-14-15(5-10(9)2)25(13-7-11(20)6-12(21)8-13)17-16(22-14)18(26)24(3)19(27)23-17/h4-8H,1-3H3
InChI Key:
ZXMZTAJAQJDWRO-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)cc(c1)n1c2cc(C)c(cc2nc2c1nc(=O)n(c2=O)C)C
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.049g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.247g/mol
Monoisotopic Mass:
400.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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