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13235-60-4 | 1,3-Benzenedicarbonyl dichloride, 4-methoxy-
CAS No: 13235-60-4 Catalog No: AG0010KS MDL No:
Product Description
Catalog Number:
AG0010KS
Chemical Name:
1,3-Benzenedicarbonyl dichloride, 4-methoxy-
CAS Number:
13235-60-4
Molecular Formula:
C9H6Cl2O3
Molecular Weight:
233.0481
IUPAC Name:
4-methoxybenzene-1,3-dicarbonyl chloride
InChI:
InChI=1S/C9H6Cl2O3/c1-14-7-3-2-5(8(10)12)4-6(7)9(11)13/h2-4H,1H3
InChI Key:
FKPCRVTXBLUQBV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)Cl)C(=O)Cl
EC Number:
236-209-0
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.044g/mol
Monoisotopic Mass:
231.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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