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4,6-dichloro-1H-indole-2-carbonyl chloride

4,6-dichloro-1H-indole-2-carbonyl chloride

CAS: 306937-25-7

Formula: C9H4Cl3NO

SMILES: ClC(=O)C1=CC2=C(Cl)C=C(Cl)C=C2N1

IUPAC: 4,6-dichloro-1H-indole-2-carbonyl chloride

InChI: InChI=1S/C9H4Cl3NO/c10-4-1-6(11)5-3-8(9(12)14)13-7(5)2-4/h1-3,13H

Composition: C (43.50%), H (1.62%), Cl (42.80%), N (5.64%), O (6.44%)

Molar Mass: 248.49

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.9358469
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZNJASLMFOWLAOR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.75
Topological Polar Surface Area 32.86
Polarizability 23.09
Ring Count 2
Rotatable Bond Count 1

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