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849066-16-6

849066-16-6 | 2-Thiazolamine, 4-(2,5-dichlorophenyl)-5-(1H-1,2,4-triazol-1-yl)-

CAS No: 849066-16-6 Catalog No: AG004PUJ MDL No:

Product Description

Catalog Number:
AG004PUJ
Chemical Name:
2-Thiazolamine, 4-(2,5-dichlorophenyl)-5-(1H-1,2,4-triazol-1-yl)-
CAS Number:
849066-16-6
Molecular Formula:
C11H7Cl2N5S
Molecular Weight:
312.1778
IUPAC Name:
4-(2,5-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C11H7Cl2N5S/c12-6-1-2-8(13)7(3-6)9-10(19-11(14)17-9)18-5-15-4-16-18/h1-5H,(H2,14,17)
InChI Key:
ISMGDEOOXJZZGX-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc(sc1n1cncn1)N)Cl

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.98g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.172g/mol
Monoisotopic Mass:
310.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
97.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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