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13239-25-3 | 1,3-Benzenedicarbonyl dichloride, 5-(1,1-dimethylethyl)-
CAS No: 13239-25-3 Catalog No: AG0010N1 MDL No:
Product Description
Catalog Number:
AG0010N1
Chemical Name:
1,3-Benzenedicarbonyl dichloride, 5-(1,1-dimethylethyl)-
CAS Number:
13239-25-3
Molecular Formula:
C12H12Cl2O2
Molecular Weight:
259.1285
IUPAC Name:
5-tert-butylbenzene-1,3-dicarbonyl chloride
InChI:
InChI=1S/C12H12Cl2O2/c1-12(2,3)9-5-7(10(13)15)4-8(6-9)11(14)16/h4-6H,1-3H3
InChI Key:
PEZDGINXZHEJFN-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(cc(c1)C(C)(C)C)C(=O)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.126g/mol
Monoisotopic Mass:
258.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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