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4-Nitrophenyl decanoate

CAT: 0024-sc-214266ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-214266ASize:1 g
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CAS Number
1956-09-8

Chemical Information

4-Nitrophenyl caprate
CAS Number1956-09-8
PubChem CID4427708
IUPAC Name(4-nitrophenyl) decanoate
Molecular FormulaC16H23NO4
Molecular Weight293.36
XLogP5.6
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity306
SMILES
CCCCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C16H23NO4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3
InChIKey
RRNKCSIEGPOIKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrophenyl caprate
CAS: 1956-09-8
CID: 4427708
Formula: C16H23NO4
MW: 293.36
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.36
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass293.16270821
Monoisotopic Mass293.16270821
Topological Polar Surface Area72.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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sc-215344AMethyl decanoate
sc-5011894-[4- (4-Chlorophenyl) -4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
sc-504209Bromoperidol Decanoate
sc-487423Isopropyl Decanoate

Alternative Products

CatalogName
EN29174-014-Nitrophenyl decanoate
MBS639177-014-Methylumbelliferyl Decanoate
OR1011164-014- (Benzyloxy) Phenethyl Decanoate
1613474-Dechloro-4- (4-chlorophenyl) Haloperidol Decanoate
TRC-D226490-100MG4-Dechloro-4-(4-chlorophenyl) Haloperidol Decanoate
FD61583-012- (4-Benzyloxyphenyl) ethyl decanoate
1613454-Dechloro-4- (3-chlorophenyl) Haloperidol Decanoate
TRC-D226480-1MG4-Dechloro-4-(3-chlorophenyl) Haloperidol Decanoate
TRC-C378570-25MG4-[4-(4-Chlorophenyl)-4-hydroxypiperidine]-4-defluorohaloperidol Decanoate
1613484-Dechloro-4- (4-chlorophenyl) Haloperidol Decanoate-d19

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