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27016-44-0 | Benzoic acid,4-butoxy-3,5-diiodo-, hydrazide
CAS No: 27016-44-0 Catalog No: AG007M6M MDL No:
Product Description
Catalog Number:
AG007M6M
Chemical Name:
Benzoic acid,4-butoxy-3,5-diiodo-, hydrazide
CAS Number:
27016-44-0
Molecular Formula:
C11H14I2N2O2
Molecular Weight:
460.0500
IUPAC Name:
4-butoxy-3,5-diiodobenzohydrazide
InChI:
InChI=1S/C11H14I2N2O2/c1-2-3-4-17-10-8(12)5-7(6-9(10)13)11(16)15-14/h5-6H,2-4,14H2,1H3,(H,15,16)
InChI Key:
DCYXZHYPSGTRTB-UHFFFAOYSA-N
SMILES:
CCCCOc1c(I)cc(cc1I)C(=O)NN
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
459.914g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
460.054g/mol
Monoisotopic Mass:
459.914g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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