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139123-30-1 | 1(2H)-Phthalazinone, 2-iodo-
CAS No: 139123-30-1 Catalog No: AG001ACI MDL No:
Product Description
Catalog Number:
AG001ACI
Chemical Name:
1(2H)-Phthalazinone, 2-iodo-
CAS Number:
139123-30-1
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
IUPAC Name:
2-iodophthalazin-1-one
InChI:
InChI=1S/C8H5IN2O/c9-11-8(12)7-4-2-1-3-6(7)5-10-11/h1-5H
InChI Key:
JEBXUSPQHRMXIG-UHFFFAOYSA-N
SMILES:
In1ncc2c(c1=O)cccc2
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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