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6-Chloro-2-morpholinonicotinic acid

CAT: 0127-OR510187Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR510187Size:100 mg
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CAS Number
305863-07-4
MDL Number
MFCD00452940
Purity
>98%
Smiles
OC(=O)c1ccc(Cl)nc1N2CCOCC2

Chemical Information

6-Chloro-2-morpholinonicotinic acid
CAS Number305863-07-4
PubChem CID796224
IUPAC Name6-chloro-2-morpholin-4-ylpyridine-3-carboxylic acid
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66
XLogP1.4
Topological Polar Surface Area62.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity258
SMILES
C1COCCN1C2=C(C=CC(=N2)Cl)C(=O)O
InChI
InChI=1S/C10H11ClN2O3/c11-8-2-1-7(10(14)15)9(12-8)13-3-5-16-6-4-13/h1-2H,3-6H2,(H,14,15)
InChIKey
WZPQWSNGXVEMGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-2-morpholinonicotinic acid
CAS: 305863-07-4
CID: 796224
Formula: C10H11ClN2O3
MW: 242.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.66
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass242.0458199
Monoisotopic Mass242.0458199
Topological Polar Surface Area62.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity258
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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