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133241-28-8 | 1,3-Benzodioxole-5-carbonyl chloride, 4-iodo-
CAS No: 133241-28-8 Catalog No: AG0014GY MDL No:
Product Description
Catalog Number:
AG0014GY
Chemical Name:
1,3-Benzodioxole-5-carbonyl chloride, 4-iodo-
CAS Number:
133241-28-8
Molecular Formula:
C8H4ClIO3
Molecular Weight:
310.4730
IUPAC Name:
4-iodo-1,3-benzodioxole-5-carbonyl chloride
InChI:
InChI=1S/C8H4ClIO3/c9-8(11)4-1-2-5-7(6(4)10)13-3-12-5/h1-2H,3H2
InChI Key:
SVTXYOAHEWUBBA-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1I)OCO2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.889g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.471g/mol
Monoisotopic Mass:
309.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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