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827603-97-4 | Ethanol, 2-[[[4,5-bis(chloromethyl)-1H-1,2,3-triazol-1-yl]methyl]thio]-
CAS No: 827603-97-4 Catalog No: AG004TR0 MDL No:
Product Description
Catalog Number:
AG004TR0
Chemical Name:
Ethanol, 2-[[[4,5-bis(chloromethyl)-1H-1,2,3-triazol-1-yl]methyl]thio]-
CAS Number:
827603-97-4
Molecular Formula:
C7H11Cl2N3OS
Molecular Weight:
256.1527
IUPAC Name:
2-[[4,5-bis(chloromethyl)triazol-1-yl]methylsulfanyl]ethanol
InChI:
InChI=1S/C7H11Cl2N3OS/c8-3-6-7(4-9)12(11-10-6)5-14-2-1-13/h13H,1-5H2
InChI Key:
HHJBDQDFDYEZFJ-UHFFFAOYSA-N
SMILES:
OCCSCn1nnc(c1CCl)CCl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.145g/mol
Monoisotopic Mass:
255g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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