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137911-87-6

137911-87-6 | 1,3-Isobenzofurandione, 5,5'-carbonylbis[6-chloro- (9CI)

CAS No: 137911-87-6 Catalog No: AG00142Z MDL No:

Product Description

Catalog Number:
AG00142Z
Chemical Name:
1,3-Isobenzofurandione, 5,5'-carbonylbis[6-chloro- (9CI)
CAS Number:
137911-87-6
Molecular Formula:
C17H4Cl2O7
Molecular Weight:
391.1155
IUPAC Name:
5-chloro-6-(6-chloro-1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
InChI:
InChI=1S/C17H4Cl2O7/c18-11-3-7-5(14(21)25-16(7)23)1-9(11)13(20)10-2-6-8(4-12(10)19)17(24)26-15(6)22/h1-4H
InChI Key:
VCDNVUTZVJFNQU-UHFFFAOYSA-N
SMILES:
O=C(c1cc2C(=O)OC(=O)c2cc1Cl)c1cc2C(=O)OC(=O)c2cc1Cl

Properties

Complexity:
662  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.933g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.112g/mol
Monoisotopic Mass:
389.933g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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