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98991-09-4 | 2-Iodo-3-methoxyaniline
CAS No: 98991-09-4 Catalog No: AG005T91 MDL No:MFCD11848601
Product Description
Catalog Number:
AG005T91
Chemical Name:
2-Iodo-3-methoxyaniline
CAS Number:
98991-09-4
Molecular Formula:
C7H8INO
Molecular Weight:
249.0490
MDL Number:
MFCD11848601
IUPAC Name:
2-iodo-3-methoxyaniline
InChI:
InChI=1S/C7H8INO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3
InChI Key:
MIYUYGHVCASWTR-UHFFFAOYSA-N
SMILES:
COc1cccc(c1I)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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