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88557-28-2 | 4H-1,3-Benzodioxin, 8-chloro-5-(chloromethyl)-2,2-dimethyl-
CAS No: 88557-28-2 Catalog No: AG004C2X MDL No:
Product Description
Catalog Number:
AG004C2X
Chemical Name:
4H-1,3-Benzodioxin, 8-chloro-5-(chloromethyl)-2,2-dimethyl-
CAS Number:
88557-28-2
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
IUPAC Name:
8-chloro-5-(chloromethyl)-2,2-dimethyl-4H-1,3-benzodioxine
InChI:
InChI=1S/C11H12Cl2O2/c1-11(2)14-6-8-7(5-12)3-4-9(13)10(8)15-11/h3-4H,5-6H2,1-2H3
InChI Key:
JHQOJSOOBRDXMZ-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c2c1COC(O2)(C)C)Cl
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.115g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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