AKOS022535745

Iupac Name：1H-indole-3-carboxylic acid

CAS No.: 771-50-6

Molecular Weight：161.16

Modify Date.: 2022-02-11 09:09

1. Names and Identifiers

1.1 Name: AKOS022535745
1.2 Synonyms: 1-(p-chlorbenzyl)-1-methylhydrazin 1-(p-chlorobenzyl)-1-methylhydrazine N-(4-Chloro-benzyl)-N-methyl-hydrazine

1.6 Inchi: InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

2. Properties

3. Safety and Handling

4. MSDS

Not classified.

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

none

5. Computational chemical data

Molecular Weight: 161.16g/mol
Molecular Formula: C_₈H_₇ClN_₆
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 161.047678466
Monoisotopic Mass: 161.047678466
Complexity: 193
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 53.1
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYByMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAjBngQ8yPLJkgCoAzT3TACCgCA1AiAI2aE4bNgIJvrAlZGEcYhm0AHI2ce8yOCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

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