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18355-09-4 | Acetic acid, 4,5,6,7-tetrachloro-1H-benzotriazol-1-yl ester
CAS No: 18355-09-4 Catalog No: AG0027OM MDL No:
Product Description
Catalog Number:
AG0027OM
Chemical Name:
Acetic acid, 4,5,6,7-tetrachloro-1H-benzotriazol-1-yl ester
CAS Number:
18355-09-4
Molecular Formula:
C8H3Cl4N3O2
Molecular Weight:
314.9403
IUPAC Name:
(4,5,6,7-tetrachlorobenzotriazol-1-yl) acetate
InChI:
InChI=1S/C8H3Cl4N3O2/c1-2(16)17-15-8-6(12)4(10)3(9)5(11)7(8)13-14-15/h1H3
InChI Key:
GZKKKAKAESQJFF-UHFFFAOYSA-N
SMILES:
CC(=O)On1nnc2c1c(Cl)c(Cl)c(c2Cl)Cl
NSC Number:
145061
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.895g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.931g/mol
Monoisotopic Mass:
312.898g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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