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116118-75-3 | 1,3,5-Triazine-2,4-diamine, 6-[5-chloro-2-(2-methoxyethoxy)phenyl]-
CAS No: 116118-75-3 Catalog No: AG000BNW MDL No:
Product Description
Catalog Number:
AG000BNW
Chemical Name:
1,3,5-Triazine-2,4-diamine, 6-[5-chloro-2-(2-methoxyethoxy)phenyl]-
CAS Number:
116118-75-3
Molecular Formula:
C12H14ClN5O2
Molecular Weight:
295.7249
IUPAC Name:
6-[5-chloro-2-(2-methoxyethoxy)phenyl]-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C12H14ClN5O2/c1-19-4-5-20-9-3-2-7(13)6-8(9)10-16-11(14)18-12(15)17-10/h2-3,6H,4-5H2,1H3,(H4,14,15,16,17,18)
InChI Key:
ONJLGYMWDYOPFL-UHFFFAOYSA-N
SMILES:
COCCOc1ccc(cc1c1nc(N)nc(n1)N)Cl
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.727g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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