4-iodobutyl benzoate

CAT: 0127-OR27558Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR27558Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

19097-44-0

MDL Number

MFCD00277719

Smiles

ICCCCOC (=O) c1ccccc1

Chemical Information

4-Iodobutyl benzoate

CAS Number	19097-44-0
PubChem CID	284211
IUPAC Name	4-iodobutyl benzoate
Molecular Formula	C11H13IO2
Molecular Weight	304.12
XLogP	4.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	165

SMILES

C1=CC=C(C=C1)C(=O)OCCCCI

InChI

InChI=1S/C11H13IO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey

VVPUIKNICYCXJZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19097-44-0

CID: 284211

Formula: C11H13IO2

MW: 304.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.12
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	303.99603
Monoisotopic Mass	303.99603
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	165
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
OR27557	4-iodobutyl acetate
PC106167	(4-Iodobutyl) perfluorocyclohexane
OR90260-01	Tert-Butyl (4-iodobutyl) carbamate
OR1072927-01	2- (4-Iodobutyl) isoindoline-1,3-dione
OR86133-01	2- (4-Iodobutyl) -4,4,5,5-tetramethyl-1,3,2-dioxaborolane
OR1024676-01	4-Nitrophenyl Benzoate
OR1063907-01	4-Hydroxyphenyl benzoate
OR1011515-01	4-Chlorophenyl Benzoate
OR1027934-01	4-Chlorobenzyl Benzoate
OR1026846-01	4-Chlorobutyl Benzoate