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136346-22-0 | Propanoic acid, 3-[(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)thio]-
CAS No: 136346-22-0 Catalog No: AG0011SB MDL No:
Product Description
Catalog Number:
AG0011SB
Chemical Name:
Propanoic acid, 3-[(1,2,3,4,4-pentachloro-1,3-butadien-1-yl)thio]-
CAS Number:
136346-22-0
Molecular Formula:
C7H5Cl5O2S
Molecular Weight:
330.4434
IUPAC Name:
3-(1,2,3,4,4-pentachlorobuta-1,3-dienylsulfanyl)propanoic acid
InChI:
InChI=1S/C7H5Cl5O2S/c8-4(6(10)11)5(9)7(12)15-2-1-3(13)14/h1-2H2,(H,13,14)
InChI Key:
JBKGTJBEZWMKEN-UHFFFAOYSA-N
SMILES:
OC(=O)CCSC(=C(C(=C(Cl)Cl)Cl)Cl)Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.842g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.425g/mol
Monoisotopic Mass:
327.845g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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