6- (4-Iodophenoxymethyl) quinoline

CAT: 0926-GCC62809-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GCC62809-01Size:50 mg

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CAS Number

1306628-09-0

MDL Number

MFCD13459924

Smiles

C1=CC2=C (C=CC (=C2) COC3=CC=C (C=C3) I) N=C1

Molecular Formula

C16H12INO

Molecular Weight

361.18 g/mol

Controlled

Chemical Information

6-(4-Iodophenoxymethyl)quinoline

CAS Number	1306628-09-0
PubChem CID	60772713
IUPAC Name	6-[(4-iodophenoxy)methyl]quinoline
Molecular Formula	C16H12INO
Molecular Weight	361.18
XLogP	4.3
Topological Polar Surface Area	22.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	278

SMILES

C1=CC2=C(C=CC(=C2)COC3=CC=C(C=C3)I)N=C1

InChI

InChI=1S/C16H12INO/c17-14-4-6-15(7-5-14)19-11-12-3-8-16-13(10-12)2-1-9-18-16/h1-10H,11H2

InChIKey

GGXWGIKQVRYBIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1306628-09-0

CID: 60772713

Formula: C16H12INO

MW: 361.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.18
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	360.99636
Monoisotopic Mass	360.99636
Topological Polar Surface Area	22.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	278
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
ACC06828-01	8- (4-Iodophenoxymethyl) quinoline
UMB27891-01	4- (4-Iodophenoxymethyl) pyridine
ICC28874-01	2- (4-Iodophenoxymethyl) benzamide
SBC93297-01	3- (4-Iodophenoxymethyl) benzamide
ZZB53855-01	2- (4-Iodophenoxymethyl) pyridine
XZB92489-01	3- (4-Iodophenoxymethyl) pyridine
JBC14709-01	3-Fluoro-4- (4-iodophenoxymethyl) benzamide
TCB23706-01	3- (4-Iodophenoxymethyl) benzoic acid
IBC87788-01	1- (4-Iodophenoxymethyl) -2-methoxybenzene
IBC38350-01	4- (4-Iodophenoxymethyl) -1,2-dimethoxybenzene

Catalog	Name
OR1011512-01	4-Chloromethyl-Quinoline
AR-Q03915-01	Quinoline Impurity 4
sc-485832	4- (4-Dimethylaminostyryl) quinoline
OR1047594-01	4- (4-Nitrophenyl) quinoline
PC1002755-01	4- (4-Fluorophenyl) quinoline
OR23077-01	Quinoline-4-carboxaldehyde
260164-01	4-amino-quinoline
abx181139-01	4-(Tributylstannyl)quinoline
OR1057220-01	Quinoline-4-thiol
OR1056037-01	4- (Methylthio) quinoline