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84463-36-5 | 1H-1,2,4-Triazole-1-ethanamine,a-(2,4-dichlorophenyl)-
CAS No: 84463-36-5 Catalog No: AG004W26 MDL No:
Product Description
Catalog Number:
AG004W26
Chemical Name:
1H-1,2,4-Triazole-1-ethanamine,a-(2,4-dichlorophenyl)-
CAS Number:
84463-36-5
Molecular Formula:
C10H10Cl2N4
Molecular Weight:
257.1192
IUPAC Name:
1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanamine
InChI:
InChI=1S/C10H10Cl2N4/c11-7-1-2-8(9(12)3-7)10(13)4-16-6-14-5-15-16/h1-3,5-6,10H,4,13H2
InChI Key:
IHKXUUPBTZFRKU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)C(Cn1cncn1)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.118g/mol
Monoisotopic Mass:
256.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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