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4949-69-3 | 4-IODO-3-METHYLANILINE
CAS No: 4949-69-3 Catalog No: AG00D8O1 MDL No:MFCD01569451
Product Description
Catalog Number:
AG00D8O1
Chemical Name:
4-IODO-3-METHYLANILINE
CAS Number:
4949-69-3
Molecular Formula:
C7H8IN
Molecular Weight:
233.0496
MDL Number:
MFCD01569451
IUPAC Name:
4-iodo-3-methylaniline
InChI:
InChI=1S/C7H8IN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3
InChI Key:
UISBOJCPTKUBIC-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)C)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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