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306730-52-9 | N-[(2,4-dimethoxyphenyl)methyl]-4-iodoaniline
CAS No: 306730-52-9 Catalog No: AG00IWT0 MDL No:MFCD00169380
Product Description
Catalog Number:
AG00IWT0
Chemical Name:
N-[(2,4-dimethoxyphenyl)methyl]-4-iodoaniline
CAS Number:
306730-52-9
Molecular Formula:
C15H16INO2
Molecular Weight:
369.1975
MDL Number:
MFCD00169380
IUPAC Name:
N-[(2,4-dimethoxyphenyl)methyl]-4-iodoaniline
InChI:
InChI=1S/C15H16INO2/c1-18-14-8-3-11(15(9-14)19-2)10-17-13-6-4-12(16)5-7-13/h3-9,17H,10H2,1-2H3
InChI Key:
ZZPFTRMRVPDGNT-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CNc1ccc(cc1)I
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.202g/mol
Monoisotopic Mass:
369.023g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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