Home Other Building Blocks 3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazol-5-amine hydrobromide

3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazol-5-amine hydrobromide

CAS No.:
1909327-90-7
Catalog Number:
AG01C6MK
Molecular Formula:
C9H9BrF2N4
Molecular Weight:
291.0954
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Product Description
Catalog Number:
AG01C6MK
Chemical Name:
3-(2,6-difluorophenyl)-1-methyl-1H-1,2,4-triazol-5-amine hydrobromide
CAS Number:
1909327-90-7
Molecular Formula:
C9H9BrF2N4
Molecular Weight:
291.0954
MDL Number:
MFCD29907180
IUPAC Name:
5-(2,6-difluorophenyl)-2-methyl-1,2,4-triazol-3-amine;hydrobromide
InChI:
InChI=1S/C9H8F2N4.BrH/c1-15-9(12)13-8(14-15)7-5(10)3-2-4-6(7)11;/h2-4H,1H3,(H2,12,13,14);1H
InChI Key:
JCNGLGCRJBYUIJ-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1c1nn(c(n1)N)C)F.Br
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.998g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
291.1g/mol
Monoisotopic Mass:
289.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties