2- (2-Formyl-4-Nitrophenoxy) -Hexanoate

CAT: 1596-AR-D02427-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02427-01Size:10 Units

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CAS Number

335153-23-6

Synonyms

Methyl 2- (2-formyl-4-nitrophenoxy) hexanoate; Methyl 2- (2'-Formyl-4'-nitrophenoxy) caproate

Molecular Formula

C14H17NO6

Molecular Weight

295.28

API Name

Dronedarone

Chemical Information

Methyl 2-(2-formyl-4-nitrophenoxy)hexanoate

CAS Number	335153-23-6
PubChem CID	11289420
IUPAC Name	methyl 2-(2-formyl-4-nitrophenoxy)hexanoate
Molecular Formula	C14H17NO6
Molecular Weight	295.29
XLogP	2.9
Topological Polar Surface Area	98.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	367

SMILES

CCCCC(C(=O)OC)OC1=C(C=C(C=C1)[N+](=O)[O-])C=O

InChI

InChI=1S/C14H17NO6/c1-3-4-5-13(14(17)20-2)21-12-7-6-11(15(18)19)8-10(12)9-16/h6-9,13H,3-5H2,1-2H3

InChIKey

ACIKBKLWSJKUBS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 335153-23-6

CID: 11289420

Formula: C14H17NO6

MW: 295.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.29
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	295.10558726
Monoisotopic Mass	295.10558726
Topological Polar Surface Area	98.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-D02428-01	2- (2-Formyl-4-Nitrophenoxy) -Hexanoic Acid
AR-V01403-01	Diethyl 2- (2-formyl-4-nitrophenoxy) malonate
AR-B01341-01	4-chloro-2-formyl-benzoic acid
AR-L07709-01	2-Formyl Loratadine
AR-H01264-01	Methyl Hexanoate
AR-N01760-01	Norethisterone Hexanoate
AR-L07710-01	4-Formyl Loratadine
AR-L01016-01	5-formyl-2-hydroxybenzamide
AR-F01999-01	5-Formyl-2-hydroxyformanilide
AR-E08887-01	Estradiol 17-Hexanoate

Catalog	Name
sc-487186	2,4,6-Tribromophenyl Hexanoate
OR89617-01	4-Nitrophenyl hexanoate
CAA19861	Isoamyl Hexanoate (contains 2-Methylbutyl Hexanoate)
PC6413-01	4,4,4-Trifluorobutyl hexanoate
FD15528-01	2-Diethylaminoethyl hexanoate
BIPA125	Sulphosuccinimidyl (4-azidosalicylamido) hexanoate
OR1009781-01	2- (4-Methylthiazol-5-yl) ethyl hexanoate
BIPA109	Sulphosuccinimidyl 6- (4'-azido-2'-nitrophenylamino) hexanoate
CS-ED-26379	2- (Diethylamino) ethyl hexanoate
OR1060018-01	Ethyl 2- (diethoxyphosphoryl) hexanoate