7-chloro-1H-indole-4-carbaldehyde

7-chloro-1H-indole-4-carbaldehyde

CAS: 1167055-37-9

Formula: C9H6ClNO

SMILES: ClC1=C2NC=CC2=C(C=O)C=C1

IUPAC: 7-chloro-1H-indole-4-carbaldehyde

InChI: InChI=1S/C9H6ClNO/c10-8-2-1-6(5-12)7-3-4-11-9(7)8/h1-5,11H

Composition: C (60.19%), H (3.37%), Cl (19.74%), N (7.80%), O (8.91%)

Molar Mass: 179.6

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	179.0137915
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IREPJTYUCHCYLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.53
Topological Polar Surface Area	32.86
Polarizability	19.31
Ring Count	2
Rotatable Bond Count	1

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