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338395-74-7 | 2-(3-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazol-5-yl)acetonitrile
CAS No: 338395-74-7 Catalog No: AG01FOLY MDL No:
Product Description
Catalog Number:
AG01FOLY
Chemical Name:
2-(3-{[(4-chlorophenyl)sulfanyl]methyl}-1H-1,2,4-triazol-5-yl)acetonitrile
CAS Number:
338395-74-7
IUPAC Name:
2-[5-[(4-chlorophenyl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile
InChI:
InChI=1S/C11H9ClN4S/c12-8-1-3-9(4-2-8)17-7-11-14-10(5-6-13)15-16-11/h1-4H,5,7H2,(H,14,15,16)
InChI Key:
FBEXDJOWXLKCOG-UHFFFAOYSA-N
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.731g/mol
Monoisotopic Mass:
264.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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