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A 22700

CAT: 0931-T29495-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29495-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60439-52-3
Target
Others
Related Pathways
Others
Bioactivity
A 22700 is a biochemical.
Smiles
O=C(NC1CC1)C2=CC(Cl)=C(NC)C(Cl)=C2
Molecular Formula
C11H12Cl2N2O
Molecular Weight
259.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 22700

structure

CAS Number60439-52-3
PubChem CID43268
IUPAC Name3,5-dichloro-N-cyclopropyl-4-(methylamino)benzamide
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.13
XLogP3
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity259
SMILES
CNC1=C(C=C(C=C1Cl)C(=O)NC2CC2)Cl
InChI
InChI=1S/C11H12Cl2N2O/c1-14-10-8(12)4-6(5-9(10)13)11(16)15-7-2-3-7/h4-5,7,14H,2-3H2,1H3,(H,15,16)
InChIKey
YYVJXCMEJLMKHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 22700
CAS: 60439-52-3
CID: 43268
Formula: C11H12Cl2N2O
MW: 259.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.13
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass258.0326684
Monoisotopic Mass258.0326684
Topological Polar Surface Area41.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity259
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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