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AKOS BBS-00005387

CAS No.:
1973-09-7
Catalog Number:
AG00APFO
Molecular Formula:
C15H12ClN5
Molecular Weight:
297.7423
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Product Description
Catalog Number:
AG00APFO
Chemical Name:
AKOS BBS-00005387
CAS Number:
1973-09-7
Molecular Formula:
C15H12ClN5
Molecular Weight:
297.7423
MDL Number:
MFCD00412294
IUPAC Name:
6-chloro-2-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C15H12ClN5/c16-13-19-14(17-11-7-3-1-4-8-11)21-15(20-13)18-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20,21)
InChI Key:
AHBSUJXKRKWNBN-UHFFFAOYSA-N
SMILES:
Clc1nc(Nc2ccccc2)nc(n1)Nc1ccccc1
NSC Number:
76482
Properties
Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.078g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.746g/mol
Monoisotopic Mass:
297.078g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties