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1000802-33-4 | N-(6-Iodobenzo[D][1,3]Dioxol-5-Yl)Acetamide
CAS No: 1000802-33-4 Catalog No: AG00H95H MDL No:MFCD26399737
Product Description
Catalog Number:
AG00H95H
Chemical Name:
N-(6-Iodobenzo[D][1,3]Dioxol-5-Yl)Acetamide
CAS Number:
1000802-33-4
Molecular Formula:
C9H8INO3
Molecular Weight:
305.0692
MDL Number:
MFCD26399737
IUPAC Name:
N-(6-iodo-1,3-benzodioxol-5-yl)acetamide
InChI:
InChI=1S/C9H8INO3/c1-5(12)11-7-3-9-8(2-6(7)10)13-4-14-9/h2-3H,4H2,1H3,(H,11,12)
InChI Key:
KZPRZJSLLKQTSW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2OCOc2cc1I
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.071g/mol
Monoisotopic Mass:
304.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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