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74586-54-2 | 3-iodo-5-methylaniline
CAS No: 74586-54-2 Catalog No: AG01BAKE MDL No:MFCD12965021
Product Description
Catalog Number:
AG01BAKE
Chemical Name:
3-iodo-5-methylaniline
CAS Number:
74586-54-2
Molecular Formula:
C7H8IN
Molecular Weight:
233.0496
MDL Number:
MFCD12965021
IUPAC Name:
3-iodo-5-methylaniline
InChI:
InChI=1S/C7H8IN/c1-5-2-6(8)4-7(9)3-5/h2-4H,9H2,1H3
InChI Key:
LOUHGQOWBDORSI-UHFFFAOYSA-N
SMILES:
Cc1cc(N)cc(c1)I
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.97g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.052g/mol
Monoisotopic Mass:
232.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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