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20535-53-9 | 2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-(diethoxymethyl)-
CAS No: 20535-53-9 Catalog No: AG002A08 MDL No:
Product Description
Catalog Number:
AG002A08
Chemical Name:
2,4-Pyrimidinediamine, 5-(3,4-dichlorophenyl)-6-(diethoxymethyl)-
CAS Number:
20535-53-9
Molecular Formula:
C15H18Cl2N4O2
Molecular Weight:
357.2350
IUPAC Name:
5-(3,4-dichlorophenyl)-6-(diethoxymethyl)pyrimidine-2,4-diamine
InChI:
InChI=1S/C15H18Cl2N4O2/c1-3-22-14(23-4-2)12-11(13(18)21-15(19)20-12)8-5-6-9(16)10(17)7-8/h5-7,14H,3-4H2,1-2H3,(H4,18,19,20,21)
InChI Key:
WHNGSHAUKDCMNA-UHFFFAOYSA-N
SMILES:
CCOC(c1nc(N)nc(c1c1ccc(c(c1)Cl)Cl)N)OCC
NSC Number:
111729
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.081g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.235g/mol
Monoisotopic Mass:
356.081g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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