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4-Methylcarbazole

CAT: 0572-TRC-M593135-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M593135-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3770-48-7
Synonyms
4-Methyl-9H-carbazole;
Hazard Statement
Suspected of causing genetic defects; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cc1cccc2[nH]c3ccccc3c12
Molecular Formula
C13H11N
Molecular Weight
181.23
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Methyl-9H-carbazole
CAS Number3770-48-7
PubChem CID19591
IUPAC Name4-methyl-9H-carbazole
Molecular FormulaC13H11N
Molecular Weight181.23
XLogP3.8
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity213
SMILES
CC1=C2C3=CC=CC=C3NC2=CC=C1
InChI
InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3
InChIKey
GNPUIRFDBYALRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-9H-carbazole
CAS: 3770-48-7
CID: 19591
Formula: C13H11N
MW: 181.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass181.089149355
Monoisotopic Mass181.089149355
Topological Polar Surface Area15.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity213
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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