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1012-84-6 | Benzoic acid, 2,3,4,5,6-pentachloro-
CAS No: 1012-84-6 Catalog No: AG0003XM MDL No:MFCD00092425
Product Description
Catalog Number:
AG0003XM
Chemical Name:
Benzoic acid, 2,3,4,5,6-pentachloro-
CAS Number:
1012-84-6
Molecular Formula:
C7HCl5O2
Molecular Weight:
294.3466
MDL Number:
MFCD00092425
IUPAC Name:
2,3,4,5,6-pentachlorobenzoic acid
InChI:
InChI=1S/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChI Key:
IONYGGJUUJFXJK-UHFFFAOYSA-N
SMILES:
Clc1c(Cl)c(C(=O)O)c(c(c1Cl)Cl)Cl
NSC Number:
155867
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.839g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.333g/mol
Monoisotopic Mass:
291.842g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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