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74587-12-5 | 3-Iodo-4-methoxyaniline
CAS No: 74587-12-5 Catalog No: AG003JLA MDL No:MFCD06656566
Product Description
Catalog Number:
AG003JLA
Chemical Name:
3-Iodo-4-methoxyaniline
CAS Number:
74587-12-5
Molecular Formula:
C7H8INO
Molecular Weight:
249.0490
MDL Number:
MFCD06656566
IUPAC Name:
3-iodo-4-methoxyaniline
InChI:
InChI=1S/C7H8INO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3
InChI Key:
UHPNLGCUIGEZRB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1I)N
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.965g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.051g/mol
Monoisotopic Mass:
248.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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