(-) -TK216

CAT: 0926-DBD78378-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-DBD78378-01Size:10 mg

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CAS Number

1903783-78-7

Smiles

CC1=C (OC (=N1) I) C (=O) N

Molecular Formula

C19H15Cl2NO3

Molecular Weight

376.2 g/mol

Controlled

Chemical Information

4,7-Dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one

CAS Number	1903783-78-7
PubChem CID	121268274
IUPAC Name	4,7-dichloro-3-[2-(4-cyclopropylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
Molecular Formula	C19H15Cl2NO3
Molecular Weight	376.2
XLogP	4.1
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	559

SMILES

C1CC1C2=CC=C(C=C2)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O

InChI

InChI=1S/C19H15Cl2NO3/c20-13-7-8-14(21)17-16(13)19(25,18(24)22-17)9-15(23)12-5-3-11(4-6-12)10-1-2-10/h3-8,10,25H,1-2,9H2,(H,22,24)

InChIKey

ZWHNLSHDLKIXOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1903783-78-7

CID: 121268274

Formula: C19H15Cl2NO3

MW: 376.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.2
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	375.0428987
Monoisotopic Mass	375.0428987
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	559
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes