4-Nitrophenyl hexanoate

CAT: 0127-OR89617-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR89617-01Size:5 g

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CAS Number

956-75-2

MDL Number

MFCD00056111

Purity

98%

Smiles

CCCCCC(OC1=CC=C([N+]([O-])=O)C=C1)=O

Storage Conditions

Store at 2-8°C

Chemical Information

4-Nitrophenyl hexanoate

CAS Number	956-75-2
PubChem CID	567162
IUPAC Name	(4-nitrophenyl) hexanoate
Molecular Formula	C12H15NO4
Molecular Weight	237.25
XLogP	3.4
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	254

SMILES

CCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3

InChIKey

OLRXUEYZKCCEKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 956-75-2

CID: 567162

Formula: C12H15NO4

MW: 237.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.25
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	237.10010796
Monoisotopic Mass	237.10010796
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	254
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
OR1065398-01	(S) -4-Nitrophenyl 2,6-bis (((benzyloxy) carbonyl) amino) hexanoate
PC6413-01	4,4,4-Trifluorobutyl hexanoate
OR1057017-01	(S) -4-Nitrophenyl 6-amino-2- (((benzyloxy) carbonyl) amino) hexanoate hydrochloride
BIPA125	Sulphosuccinimidyl (4-azidosalicylamido) hexanoate
OR1036756	Methyl 2-Acetyl-3- (3-nitrophenyl) -5-oxo-hexanoate
OR1029219-01	Hexyl hexanoate
OR1078815-01	Methyl Hexanoate
OR1044297-01	Chloromethyl hexanoate
BUP16964	Hexyl hexanoate
OR1014618-01	Phenethyl Hexanoate

Catalog	Name
sc-486520	4-Nitrophenyl Hexanoate
sc-473770	Sulfo-Succinimidyl-6-[ (4´-azido-nitrophenyl) amino]hexanoate
289549-01	Sulfo-Succinimidyl-6-[ (4'-azido-nitrophenyl) amino]hexanoate
abx187861	(SANPAH),N-Succinimidyl-6-(4'-azido2'-nitrophenyl-amino)hexanoate
CS-O-39573	4-nitrophenyl 2,6-bis ((tert-butoxycarbonyl) amino) hexanoate
242136	Sulfo-Succinimidyl-6-[ (4 ́-azido-nitrophenyl) amino]hexanoate 99+% (NMR)
sc-355984	Sulphosuccinimidyl (4-azidosalicylamido) hexanoate
454777-01	Methyl 2-Acetyl-3- (3-nitrophenyl) -5-oxo-hexanoate
TRC-M275365-25MG	Methyl 2-Acetyl-3-(3-nitrophenyl)-5-oxo-hexanoate
TRC-B126018-50MG	Ethyl 6-(4-Chlorophenoxy)hexanoate