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methyl 6-chloro-3-formyl-1H-indole-2-carboxylate

methyl 6-chloro-3-formyl-1H-indole-2-carboxylate

CAS: 893730-96-6

Formula: C11H8ClNO3

SMILES: COC(=O)C1=C(C=O)C2=CC=C(Cl)C=C2N1

IUPAC: methyl 6-chloro-3-formyl-1H-indole-2-carboxylate

InChI: InChI=1S/C11H8ClNO3/c1-16-11(15)10-8(5-14)7-3-2-6(12)4-9(7)13-10/h2-5,13H,1H3

Composition: C (55.60%), H (3.39%), Cl (14.92%), N (5.89%), O (20.20%)

Molar Mass: 237.64

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.0192708
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GKXMWERDCUFMMP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.44
Topological Polar Surface Area 59.16
Polarizability 23.75
Ring Count 2
Rotatable Bond Count 3

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