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3-Hydroxy Anagrelide-13C3 (~80%)

CAT: 0572-TRC-H798303-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H798303-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219393-12-0
Synonyms
6,7-Dichloro-1,5-dihydro-3-hydroxyimidazo[2,1-b]quinazolin-2(3H)-one-13C3; BCH 24426-13C3;
Hazard Statement
No Data Available
Smiles
ClC1=C(Cl)C=CC2=C1CN([13CH](O)[13C](N3)=O)[13C]3=N2
Molecular Formula
C713C3H7Cl2N3O2
Molecular Weight
275.07
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Hydroxy Anagrelide-13C3
CAS Number1219393-12-0
PubChem CID136240611
IUPAC Name6,7-dichloro-3-hydroxy-3,5-dihydro-1H-(2,4,5-13C3)imidazolo[2,1-b]quinazolin-2-one
Molecular FormulaC10H7Cl2N3O2
Molecular Weight275.06
XLogP1
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity390
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=[13C]3N1[13CH]([13C](=O)N3)O
InChI
InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)/i8+1,9+1,10+1
InChIKey
KAXTUTDKZVOONF-SKMPNTIBSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy Anagrelide-13C3
CAS: 1219393-12-0
CID: 136240611
Formula: C10H7Cl2N3O2
MW: 275.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.06
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass274.0015964
Monoisotopic Mass274.0015964
Topological Polar Surface Area64.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity390
Isotope Atom Count3
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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