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1000802-34-5 | 1,3-Benzodioxol-5-aMine, 6-iodo-
CAS No: 1000802-34-5 Catalog No: AG0000VB MDL No:MFCD23728743
Product Description
Catalog Number:
AG0000VB
Chemical Name:
1,3-Benzodioxol-5-aMine, 6-iodo-
CAS Number:
1000802-34-5
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
MDL Number:
MFCD23728743
IUPAC Name:
6-iodo-1,3-benzodioxol-5-amine
InChI:
InChI=1S/C7H6INO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2
InChI Key:
QJMNGYVZGVGPQH-UHFFFAOYSA-N
SMILES:
Ic1cc2OCOc2cc1N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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