1-benzoyl-2-chloro-...

1-benzoyl-2-chloro-1H-indole-3-carbaldehyde(CAS No. 54778-14-2)

1-benzoyl-2-chloro-1H-indole-3-carbaldehyde(CAS No. 54778-14-2)

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1-benzoyl-2-chloro-indole-3-carbaldehyde 54778-14-2 98%

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  • Appearance:Solid
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Details:

【Name】
1-benzoyl-2-chloro-1H-indole-3-carbaldehyde
【Iupac name】
1-benzoyl-2-chloroindole-3-carbaldehyde
【CAS Registry number】
54778-14-2
【Synonyms】
NSC234521
AC1L7QB7
NSC-234521
1-benzoyl-2-chloroindole-3-carbaldehyde
54778-14-2
【Molecular Formula】
C16H10ClNO2 (Products with the same molecular formula)
【Molecular Weight】
283.7091
【Inchi】
InChI=1/C16H10ClNO2/c17-15-13(10-19)12-8-4-5-9-14(12)18(15)16(20)11-6-2-1-3-7-11/h1-10H
【Canonical SMILES】
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2Cl)C=O
Chemical and Physical Properties
【Density】
1.29g/cm3
【Boiling Point】
369.6°C at 760 mmHg
【Refractive Index】
1.638
【Flash Point】
177.3°C
【Computed Properties】
Molecular Weight:283.7091 [g/mol]
Molecular Formula:C16H10ClNO2
XLogP3-AA:4
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:283.040006
MonoIsotopic Mass:283.040006
Topological Polar Surface Area:39.1
Heavy Atom Count:20
Formal Charge:0
Complexity:381
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:9

 

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