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2-Iodo-N-methylbenzamide

CAT: 0926-ICA08422Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-ICA08422Size:2.5 g
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CAS Number
58084-22-3
MDL Number
MFCD00099249
Smiles
CNC (=O) C1=CC=CC=C1I
Molecular Formula
C8H8INO
Molecular Weight
261.06 g/mol
Controlled
No

Chemical Information

2-Iodo-N-methylbenzamide
CAS Number58084-22-3
PubChem CID615852
IUPAC Name2-iodo-N-methylbenzamide
Molecular FormulaC8H8INO
Molecular Weight261.06
XLogP1.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity149
SMILES
CNC(=O)C1=CC=CC=C1I
InChI
InChI=1S/C8H8INO/c1-10-8(11)6-4-2-3-5-7(6)9/h2-5H,1H3,(H,10,11)
InChIKey
XVZYFJIGUQHFSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-N-methylbenzamide
CAS: 58084-22-3
CID: 615852
Formula: C8H8INO
MW: 261.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.06
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass260.96506
Monoisotopic Mass260.96506
Topological Polar Surface Area29.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity149
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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