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Articaine Impurity 15

CAT: 1299-RM-A181015-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A181015-01Size:10 mg
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CAS Number
23964-56-9
Synonyms
Methyl 3- (2-chloropropanamido) -4-methylthiophene-2-carboxylate
Molecular Formula
C10H12ClNO3S
Molecular Weight
261.72
Target Alternative Name
Articaine
Product Name Synonym
Methyl 3- (2-chloropropanamido) -4-methylthiophene-2-carboxylate

Chemical Information

Methyl 3-(2-chloropropanamido)-4-methylthiophene-2-carboxylate
CAS Number23964-56-9
PubChem CID597267
IUPAC Namemethyl 3-(2-chloropropanoylamino)-4-methylthiophene-2-carboxylate
Molecular FormulaC10H12ClNO3S
Molecular Weight261.73
XLogP2.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity287
SMILES
CC1=CSC(=C1NC(=O)C(C)Cl)C(=O)OC
InChI
InChI=1S/C10H12ClNO3S/c1-5-4-16-8(10(14)15-3)7(5)12-9(13)6(2)11/h4,6H,1-3H3,(H,12,13)
InChIKey
SPKRZDZVDTWKDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-(2-chloropropanamido)-4-methylthiophene-2-carboxylate
CAS: 23964-56-9
CID: 597267
Formula: C10H12ClNO3S
MW: 261.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.73
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass261.0226421
Monoisotopic Mass261.0226421
Topological Polar Surface Area83.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity287
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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