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28731-85-3 | 1,3,5-Triazine-2,4-diamine, N2,N4-bis(4-aminophenyl)-6-chloro-
CAS No: 28731-85-3 Catalog No: AG002WAM MDL No:
Product Description
Catalog Number:
AG002WAM
Chemical Name:
1,3,5-Triazine-2,4-diamine, N2,N4-bis(4-aminophenyl)-6-chloro-
CAS Number:
28731-85-3
Molecular Formula:
C15H14ClN7
Molecular Weight:
327.7716
IUPAC Name:
2-N,2-N-bis(4-aminophenyl)-6-chloro-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C15H14ClN7/c16-13-20-14(19)22-15(21-13)23(11-5-1-9(17)2-6-11)12-7-3-10(18)4-8-12/h1-8H,17-18H2,(H2,19,20,21,22)
InChI Key:
AVWNGZZAEHHNDC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1nc(Nc2ccc(cc2)N)nc(n1)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.776g/mol
Monoisotopic Mass:
327.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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