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2- (2-Chlorophenyl) morpholine oxalate

CAT: 0024-sc-287456ASize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-287456ASize:250 mg
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CAS Number
913297-04-8

Chemical Information

2-(2-Chlorophenyl)morpholine oxalate
CAS Number913297-04-8
PubChem CID17749812
IUPAC Name2-(2-chlorophenyl)morpholine;oxalic acid
Molecular FormulaC12H14ClNO5
Molecular Weight287.69
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity237
SMILES
C1COC(CN1)C2=CC=CC=C2Cl.C(=O)(C(=O)O)O
InChI
InChI=1S/C10H12ClNO.C2H2O4/c11-9-4-2-1-3-8(9)10-7-12-5-6-13-10;3-1(4)2(5)6/h1-4,10,12H,5-7H2;(H,3,4)(H,5,6)
InChIKey
DVKWCLUMELMKMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Chlorophenyl)morpholine oxalate
CAS: 913297-04-8
CID: 17749812
Formula: C12H14ClNO5
MW: 287.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight287.69
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass287.0560502
Monoisotopic Mass287.0560502
Topological Polar Surface Area95.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes