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137071-78-4 | 1,2,4-Benzenetricarboxylic acid, 3,6-dichloro-
CAS No: 137071-78-4 Catalog No: AG0012ST MDL No:MFCD16294491
Product Description
Catalog Number:
AG0012ST
Chemical Name:
1,2,4-Benzenetricarboxylic acid, 3,6-dichloro-
CAS Number:
137071-78-4
Molecular Formula:
C9H4Cl2O6
Molecular Weight:
279.0305
MDL Number:
MFCD16294491
IUPAC Name:
3,6-dichlorobenzene-1,2,4-tricarboxylic acid
InChI:
InChI=1S/C9H4Cl2O6/c10-3-1-2(7(12)13)6(11)5(9(16)17)4(3)8(14)15/h1H,(H,12,13)(H,14,15)(H,16,17)
InChI Key:
WFLALXNBVTWGKP-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Cl)c(cc(c1C(=O)O)Cl)C(=O)O
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.938g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.025g/mol
Monoisotopic Mass:
277.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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