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1206679-91-5 | 4-Iodo-3,5-dimethylbenzamide
CAS No: 1206679-91-5 Catalog No: AG0080V8 MDL No:MFCD13180441
Product Description
Catalog Number:
AG0080V8
Chemical Name:
4-Iodo-3,5-dimethylbenzamide
CAS Number:
1206679-91-5
Molecular Formula:
C9H10INO
Molecular Weight:
275.0863
MDL Number:
MFCD13180441
IUPAC Name:
4-iodo-3,5-dimethylbenzamide
InChI:
InChI=1S/C9H10INO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChI Key:
RQIWKKGHFRYGBC-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(C)c(c(c1)C)I
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.981g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.089g/mol
Monoisotopic Mass:
274.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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