5-bromo-6-chloro-1H-indole-3-carbaldehyde

5-bromo-6-chloro-1H-indole-3-carbaldehyde

CAS: 1467059-87-5

Formula: C9H5BrClNO

SMILES: ClC1=C(Br)C=C2C(C=O)=CNC2=C1

IUPAC: 5-bromo-6-chloro-1H-indole-3-carbaldehyde

InChI: InChI=1S/C9H5BrClNO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H

Composition: C (41.82%), H (1.95%), Br (30.91%), Cl (13.71%), N (5.42%), O (6.19%)

Molar Mass: 258.5

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.924304
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	ISNMSGBNFQGRLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.16
Topological Polar Surface Area	32.86
Polarizability	22.12
Ring Count	2
Rotatable Bond Count	1

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