2- (3,5-dichlorophenyl) morpholine oxalate

CAT: 0127-OR12830Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

1171742-97-4

MDL Number

MFCD03840013

Purity

=95%

Smiles

OC(=O)C(=O)O.Clc1cc(Cl)cc(c1)C2CNCCO2

Chemical Information

2-(3,5-Dichlorophenyl)morpholine oxalate

CAS Number	1171742-97-4
PubChem CID	17749808
IUPAC Name	2-(3,5-dichlorophenyl)morpholine;oxalic acid
Molecular Formula	C12H13Cl2NO5
Molecular Weight	322.14
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	253

SMILES

C1COC(CN1)C2=CC(=CC(=C2)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H11Cl2NO.C2H2O4/c11-8-3-7(4-9(12)5-8)10-6-13-1-2-14-10;3-1(4)2(5)6/h3-5,10,13H,1-2,6H2;(H,3,4)(H,5,6)

InChIKey

SCMJVEVHDSRJCV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1171742-97-4

CID: 17749808

Formula: C12H13Cl2NO5

MW: 322.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.14
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	321.0170779
Monoisotopic Mass	321.0170779
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	253
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	2
Compound Is Canonicalized	Yes

Catalog	Name
OR12856	3- (2-Methoxyphenyl) morpholine oxalate
OR12835	2- (Pyridin-3-yl) morpholine oxalate
OR12834	2- (2-Chlorophenyl) morpholine oxalate
OR12832	2- (4-methylphenyl) morpholine oxalate
OR12812	2-hydroxy-2- (3,4-dichlorophenyl) ethylamine oxalate
OR1052845-01	(S) -3- (4-Bromo-2,6-dichlorophenyl) morpholine
OR1087436	4-[ (3,4-Dichlorophenyl) methyl]morpholine
OR1095716-01	(2,5-Dichlorophenyl) (morpholino) methanone
OR30017	3,5-dichlorophenyl 2,5-dichloronicotinate
OR12506-01	2- (3,5-Dichlorophenyl) pyrrolidine

Catalog	Name
274119-01	2- (3,5-Dichlorophenyl) morpholine oxalate
229392-01	2- (3,5-Dichlorophenyl) morpholine oxalate ≥90%
sc-472523	3- (2-Methoxyphenyl) Morpholine Oxalate
288119-01	2-Pyridin-3-Yl Morpholine Oxalate
sc-356336A	2- (Pyridin-3-yl) morpholine oxalate
231218-01	3- (2-Methoxyphenyl) Morpholine Oxalate 98+% (HPLC)
230706-01	2-Pyridin-3-Yl Morpholine Oxalate ≥95% (NMR)
sc-287456A	2- (2-Chlorophenyl) morpholine oxalate
sc-473453	2- (4-Fluorophenyl) morpholine oxalate
MCA24372-01	2-[4- (Trifluoromethyl) phenyl]morpholine oxalate