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4-Chloro alpha-Carboline

CAT: 0572-TRC-C365095-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C365095-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
25208-32-6
Hazard Statement
No Data Available
Smiles
Clc1cc[nH]c2nc3ccccc3c12
Molecular Formula
C11 H7 Cl N2
Molecular Weight
202.64
InChI
InChI=1S/C11H7ClN2/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H,13,14)
Additionnal Information
IUPAC name: 4-chloro-1H-pyrido[2,3-b]indole
Shipping Conditions
Room Temperature

Chemical Information

4-Chloro-9H-pyrido[2,3-b]indole
CAS Number25208-32-6
PubChem CID10041012
IUPAC Name4-chloro-9H-pyrido[2,3-b]indole
Molecular FormulaC11H7ClN2
Molecular Weight202.64
XLogP3.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
C1=CC=C2C(=C1)C3=C(C=CN=C3N2)Cl
InChI
InChI=1S/C11H7ClN2/c12-8-5-6-13-11-10(8)7-3-1-2-4-9(7)14-11/h1-6H,(H,13,14)
InChIKey
HPSXHMSNDHDHJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-9H-pyrido[2,3-b]indole
CAS: 25208-32-6
CID: 10041012
Formula: C11H7ClN2
MW: 202.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.64
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass202.0297759
Monoisotopic Mass202.0297759
Topological Polar Surface Area28.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
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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