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16110-99-9 | 1,2-Benzenedicarboxylic acid, 3,6-dichloro-
CAS No: 16110-99-9 Catalog No: AG001S6G MDL No:
Product Description
Catalog Number:
AG001S6G
Chemical Name:
1,2-Benzenedicarboxylic acid, 3,6-dichloro-
CAS Number:
16110-99-9
Molecular Formula:
C8H4Cl2O4
Molecular Weight:
235.0210
IUPAC Name:
3,6-dichlorophthalic acid
InChI:
InChI=1S/C8H4Cl2O4/c9-3-1-2-4(10)6(8(13)14)5(3)7(11)12/h1-2H,(H,11,12)(H,13,14)
InChI Key:
FLKHCKPUJWBHCW-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)ccc(c1C(=O)O)Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.949g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.016g/mol
Monoisotopic Mass:
233.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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