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88421-34-5 | Benzoic acid, 2,3,5,6-tetrachloro-4-(chlorocarbonyl)-
CAS No: 88421-34-5 Catalog No: AG004HTY MDL No:
Product Description
Catalog Number:
AG004HTY
Chemical Name:
Benzoic acid, 2,3,5,6-tetrachloro-4-(chlorocarbonyl)-
CAS Number:
88421-34-5
Molecular Formula:
C8HCl5O3
Molecular Weight:
322.3567
IUPAC Name:
4-carbonochloridoyl-2,3,5,6-tetrachlorobenzoic acid
InChI:
InChI=1S/C8HCl5O3/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,15,16)
InChI Key:
SONYGFWYWUWOLB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)c(Cl)c(c(c1Cl)Cl)C(=O)Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.834g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.343g/mol
Monoisotopic Mass:
319.837g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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