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88404-47-1 | Ethanol, 2,2'-[(2,6,8-trichloro-4-quinazolinyl)imino]bis-
CAS No: 88404-47-1 Catalog No: AG004L8B MDL No:
Product Description
Catalog Number:
AG004L8B
Chemical Name:
Ethanol, 2,2'-[(2,6,8-trichloro-4-quinazolinyl)imino]bis-
CAS Number:
88404-47-1
Molecular Formula:
C12H12Cl3N3O2
Molecular Weight:
336.6016
IUPAC Name:
2-[2-hydroxyethyl-(2,6,8-trichloroquinazolin-4-yl)amino]ethanol
InChI:
InChI=1S/C12H12Cl3N3O2/c13-7-5-8-10(9(14)6-7)16-12(15)17-11(8)18(1-3-19)2-4-20/h5-6,19-20H,1-4H2
InChI Key:
CFFCUWDIHCCKMM-UHFFFAOYSA-N
SMILES:
OCCN(c1nc(Cl)nc2c1cc(Cl)cc2Cl)CCO
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.597g/mol
Monoisotopic Mass:
335g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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