Home Halogens 5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine

5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine

CAS No.:
1094231-67-0
Catalog Number:
AG019X56
Molecular Formula:
C9H6ClFN4
Molecular Weight:
224.6221
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Product Description
Catalog Number:
AG019X56
Chemical Name:
5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine
CAS Number:
1094231-67-0
Molecular Formula:
C9H6ClFN4
Molecular Weight:
224.6221
MDL Number:
MFCD11134053
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-1,2,4-triazin-3-amine
InChI:
InChI=1S/C9H6ClFN4/c10-6-3-5(1-2-7(6)11)8-4-13-15-9(12)14-8/h1-4H,(H2,12,14,15)
InChI Key:
CARLIIWOEPGMMD-UHFFFAOYSA-N
SMILES:
Nc1nncc(n1)c1ccc(c(c1)Cl)F
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.623g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties