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137374-13-1 | 1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-
CAS No: 137374-13-1 Catalog No: AG00137G MDL No:
Product Description
Catalog Number:
AG00137G
Chemical Name:
1,3-Benzenedicarbonyl dichloride, 5-(acetyloxy)-
CAS Number:
137374-13-1
Molecular Formula:
C10H6Cl2O4
Molecular Weight:
261.0582
IUPAC Name:
(3,5-dicarbonochloridoylphenyl) acetate
InChI:
InChI=1S/C10H6Cl2O4/c1-5(13)16-8-3-6(9(11)14)2-7(4-8)10(12)15/h2-4H,1H3
InChI Key:
XTEUILVYNKREOP-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(cc(c1)C(=O)Cl)C(=O)Cl
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.964g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.054g/mol
Monoisotopic Mass:
259.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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