Home Halogens 2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile

2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile

CAS No.:
88671-89-0
Catalog Number:
AG0048KH
Molecular Formula:
C15H17ClN4
Molecular Weight:
288.7753
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$83
- +
10mg
≥98%
1 week
United States
$97
- +
100mg
99%
1 week
United States
$157
- +
Product Description
Catalog Number:
AG0048KH
Chemical Name:
2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(4-chlorophenyl)hexanenitrile
CAS Number:
88671-89-0
Molecular Formula:
C15H17ClN4
Molecular Weight:
288.7753
MDL Number:
MFCD00144818
IUPAC Name:
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile
InChI:
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3
InChI Key:
HZJKXKUJVSEEFU-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
UN Number:
2763
Properties
Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.114g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.779g/mol
Monoisotopic Mass:
288.114g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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Properties