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338454-80-1 | 4-Iodo-2-methoxyaniline
CAS No: 338454-80-1 Catalog No: AG00C0G3 MDL No:MFCD11044438
Product Description
Catalog Number:
AG00C0G3
Chemical Name:
4-Iodo-2-methoxyaniline
CAS Number:
338454-80-1
Molecular Formula:
C7H8INO
Molecular Weight:
249.0490
MDL Number:
MFCD11044438
IUPAC Name:
4-iodo-2-methoxyaniline
InChI:
InChI=1S/C7H8INO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChI Key:
AEPCMLLYVXZOLQ-UHFFFAOYSA-N
SMILES:
COc1cc(I)ccc1N
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:
2
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