N- (2-Iodophenyl) cyclohexanecarboxamide

CAT: 0127-OR1092160-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1092160-01Size:250 mg

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CAS Number

378786-44-8

MDL Number

MFCD04068023

Purity

95%

Smiles

N (C (=O) C1CCCCC1) c1c (I) cccc1

Chemical Information

N-(2-Iodophenyl)cyclohexanecarboxamide

CAS Number	378786-44-8
PubChem CID	613007
IUPAC Name	N-(2-iodophenyl)cyclohexanecarboxamide
Molecular Formula	C13H16INO
Molecular Weight	329.18
XLogP	3.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1CCC(CC1)C(=O)NC2=CC=CC=C2I

InChI

InChI=1S/C13H16INO/c14-11-8-4-5-9-12(11)15-13(16)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,15,16)

InChIKey

HDDBABBSSSBBFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 378786-44-8

CID: 613007

Formula: C13H16INO

MW: 329.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.18
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	329.02766
Monoisotopic Mass	329.02766
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
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