Home Other Building Blocks 4H-1,2,4-triazol-3-yl[3-(trifluoromethyl)phenyl]methanamine hydrochloride

4H-1,2,4-triazol-3-yl[3-(trifluoromethyl)phenyl]methanamine hydrochloride

CAS No.:
1461708-08-6
Catalog Number:
AG01A69F
Molecular Formula:
C10H10ClF3N4
Molecular Weight:
278.6614
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Product Description
Catalog Number:
AG01A69F
Chemical Name:
4H-1,2,4-triazol-3-yl[3-(trifluoromethyl)phenyl]methanamine hydrochloride
CAS Number:
1461708-08-6
Molecular Formula:
C10H10ClF3N4
Molecular Weight:
278.6614
MDL Number:
MFCD25371752
IUPAC Name:
1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C10H9F3N4.ClH/c11-10(12,13)7-3-1-2-6(4-7)8(14)9-15-5-16-17-9;/h1-5,8H,14H2,(H,15,16,17);1H
InChI Key:
HZULNPZUCDSHBD-UHFFFAOYSA-N
SMILES:
NC(c1cccc(c1)C(F)(F)F)c1nnc[nH]1.Cl
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.055g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.663g/mol
Monoisotopic Mass:
278.055g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties