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832150-82-0 | 1H-1,2,4-Triazole, 3-(2-bromophenyl)-5-(heptylthio)-
CAS No: 832150-82-0 Catalog No: AG004Z3S MDL No:
Product Description
Catalog Number:
AG004Z3S
Chemical Name:
1H-1,2,4-Triazole, 3-(2-bromophenyl)-5-(heptylthio)-
CAS Number:
832150-82-0
Molecular Formula:
C15H20BrN3S
Molecular Weight:
354.3084
IUPAC Name:
5-(2-bromophenyl)-3-heptylsulfanyl-1H-1,2,4-triazole
InChI:
InChI=1S/C15H20BrN3S/c1-2-3-4-5-8-11-20-15-17-14(18-19-15)12-9-6-7-10-13(12)16/h6-7,9-10H,2-5,8,11H2,1H3,(H,17,18,19)
InChI Key:
XXDVJFHVZBNBSL-UHFFFAOYSA-N
SMILES:
CCCCCCCSc1[nH]nc(n1)c1ccccc1Br
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.31g/mol
Monoisotopic Mass:
353.056g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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