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1190868-02-0 | Benzenamine, 2-iodo-N-(2-iodo-3-methoxyphenyl)-3-methoxy-N-methyl-
CAS No: 1190868-02-0 Catalog No: AG000I50 MDL No:
Product Description
Catalog Number:
AG000I50
Chemical Name:
Benzenamine, 2-iodo-N-(2-iodo-3-methoxyphenyl)-3-methoxy-N-methyl-
CAS Number:
1190868-02-0
Molecular Formula:
C15H15I2NO2
Molecular Weight:
495.0940
IUPAC Name:
2-iodo-N-(2-iodo-3-methoxyphenyl)-3-methoxy-N-methylaniline
InChI:
InChI=1S/C15H15I2NO2/c1-18(10-6-4-8-12(19-2)14(10)16)11-7-5-9-13(20-3)15(11)17/h4-9H,1-3H3
InChI Key:
KKEDOZICUXHEDM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1I)N(c1cccc(c1I)OC)C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.919g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.099g/mol
Monoisotopic Mass:
494.919g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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