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1040017-70-6 | 2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CAS No: 1040017-70-6 Catalog No: AG01A14O MDL No:MFCD11179826
Product Description
Catalog Number:
AG01A14O
Chemical Name:
2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CAS Number:
1040017-70-6
Molecular Formula:
C14H14INO
Molecular Weight:
339.1715
MDL Number:
MFCD11179826
IUPAC Name:
2-iodo-N-[(3-methoxyphenyl)methyl]aniline
InChI:
InChI=1S/C14H14INO/c1-17-12-6-4-5-11(9-12)10-16-14-8-3-2-7-13(14)15/h2-9,16H,10H2,1H3
InChI Key:
VHPGMZQVAILGMS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CNc1ccccc1I
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.176g/mol
Monoisotopic Mass:
339.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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