2-Naphthyl-3- (2-iodophenyl) propanone

CAT: 0926-FN66968-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-FN66968-01Size:2 g

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CAS Number

320576-29-2

MDL Number

MFCD01861436

Smiles

Ic1ccccc1CCC (=O) c2ccc3ccccc3c2

Molecular Formula

C19H15IO

Molecular Weight

386.23 g/mol

Controlled

Chemical Information

2-Naphthyl-3(2-Iodophenyl)Propaneone

CAS Number	320576-29-2
PubChem CID	24721319
IUPAC Name	3-(2-iodophenyl)-1-naphthalen-2-ylpropan-1-one
Molecular Formula	C19H15IO
Molecular Weight	386.2
XLogP	5.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	353

SMILES

C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3=CC=CC=C3I

InChI

InChI=1S/C19H15IO/c20-18-8-4-3-6-15(18)11-12-19(21)17-10-9-14-5-1-2-7-16(14)13-17/h1-10,13H,11-12H2

InChIKey

LIRXRUVHBPVQTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 320576-29-2

CID: 24721319

Formula: C19H15IO

MW: 386.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	386.2
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	386.01676
Monoisotopic Mass	386.01676
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	353
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

Catalog	Name
WDA60695	3- (2-Iodophenyl) propanoic acid
SMA35510-01	2- (3-Iodophenyl) pyrrolidine
VAA35154-01	2- (2-Naphthyl) -2-propanol
LAC74472-01	2- (3-Fluoro-2-iodophenyl) acetonitrile
QKB09814-01	(3-Chlorophenyl) (2-iodophenyl) methanone
CVA64973	Methyl 2- (3-iodophenyl) acetate
LAC82782-01	(3-Fluoro-2-iodophenyl) methanol
FI169964	N- (3-Iodophenyl) -2-chloropropanamide
FI55111-01	2- (3-Iodophenyl) acetic acid
THA69926-01	2,3-Bis (2-naphthyl) quinoxaline

Catalog	Name
OR1080101-01	1- (2-Iodophenyl) -1-propanone
TRC-N373160-250MG	1-(1-Naphthyl)-2-propanone
407427-01	1- (1-Naphthyl) -2-propanone
OR1084844-01	1- (3-Iodophenyl) -2-methyl-1-propanone
OR1080498-01	1- (3-Iodophenyl) -1-propanone
PC1009966-01	1- (2-Fluoro-5-iodophenyl) -1-propanone
OR1095349	1- (4-Iodophenyl) -2-methyl-1-propanone
OR1080735-01	1- (2,3-Dimethylphenoxy) -2-propanone
JH913500	1- (3-Azetidinyl) -2-propanone
D16840-01	1,3-Dichloro-2-propanone