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Apatinib Mesylate Impurity 4

CAT: 1299-RM-A271004-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A271004-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152523-77-8
Synonyms
Isopropyl 2-chloronicotinate
Molecular Formula
C9H10ClNO2
Molecular Weight
199.63
Target Alternative Name
Apatinib Mesylate
Product Name Synonym
Isopropyl 2-chloronicotinate

Chemical Information

Propan-2-yl 2-chloropyridine-3-carboxylate
CAS Number152523-77-8
PubChem CID24773096
IUPAC Namepropan-2-yl 2-chloropyridine-3-carboxylate
Molecular FormulaC9H10ClNO2
Molecular Weight199.63
XLogP2.5
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity184
SMILES
CC(C)OC(=O)C1=C(N=CC=C1)Cl
InChI
InChI=1S/C9H10ClNO2/c1-6(2)13-9(12)7-4-3-5-11-8(7)10/h3-6H,1-2H3
InChIKey
KNKVAUDQVGHCSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propan-2-yl 2-chloropyridine-3-carboxylate
CAS: 152523-77-8
CID: 24773096
Formula: C9H10ClNO2
MW: 199.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight199.63
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass199.0400063
Monoisotopic Mass199.0400063
Topological Polar Surface Area39.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity184
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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