5,6-dichloro-1H-indole-3-carbaldehyde

5,6-dichloro-1H-indole-3-carbaldehyde

CAS: 1227578-94-0

Formula: C9H5Cl2NO

SMILES: ClC1=C(Cl)C=C2C(NC=C2C=O)=C1

IUPAC: 5,6-dichloro-1H-indole-3-carbaldehyde

InChI: InChI=1S/C9H5Cl2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/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	BFVNFVHIBQGSAL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.34
Topological Polar Surface Area	32.86
Polarizability	21.21
Ring Count	2
Rotatable Bond Count	1

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