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1039834-70-2 | N-[(2,5-dimethoxyphenyl)methyl]-2-iodoaniline
CAS No: 1039834-70-2 Catalog No: AG01A15S MDL No:MFCD12633215
Product Description
Catalog Number:
AG01A15S
Chemical Name:
N-[(2,5-dimethoxyphenyl)methyl]-2-iodoaniline
CAS Number:
1039834-70-2
Molecular Formula:
C15H16INO2
Molecular Weight:
369.1975
MDL Number:
MFCD12633215
IUPAC Name:
N-[(2,5-dimethoxyphenyl)methyl]-2-iodoaniline
InChI:
InChI=1S/C15H16INO2/c1-18-12-7-8-15(19-2)11(9-12)10-17-14-6-4-3-5-13(14)16/h3-9,17H,10H2,1-2H3
InChI Key:
BHVBKMBHWGOYCR-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)CNc1ccccc1I)OC
Properties
Complexity:
265
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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