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933672-34-5 | 4-IODO-3-METHYLBENZAMIDE
CAS No: 933672-34-5 Catalog No: AG01BJL9 MDL No:MFCD18089693
Product Description
Catalog Number:
AG01BJL9
Chemical Name:
4-IODO-3-METHYLBENZAMIDE
CAS Number:
933672-34-5
Molecular Formula:
C8H8INO
Molecular Weight:
261.0597
MDL Number:
MFCD18089693
IUPAC Name:
4-iodo-3-methylbenzamide
InChI:
InChI=1S/C8H8INO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChI Key:
BCEBYFXAPVEKEJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(c(c1)C)I
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.965g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.062g/mol
Monoisotopic Mass:
260.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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