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4-chloro-1H-indole-3-carbonyl chloride

4-chloro-1H-indole-3-carbonyl chloride

CAS: 1260828-18-9

Formula: C9H5Cl2NO

SMILES: ClC(=O)C1=CNC2=CC=CC(Cl)=C12

IUPAC: 4-chloro-1H-indole-3-carbonyl chloride

InChI: InChI=1S/C9H5Cl2NO/c10-6-2-1-3-7-8(6)5(4-12-7)9(11)13/h1-4,12H

Composition: C (50.50%), H (2.35%), Cl (33.12%), N (6.54%), O (7.47%)

Molar Mass: 214.05

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 212.9748192
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RDYORUQWUKIDMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.06
Topological Polar Surface Area 32.86
Polarizability 21.17
Ring Count 2
Rotatable Bond Count 1

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