GV-196771A 1mg

CAT: 0628-A13438-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A13438-1Size:1 mg

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CAS Number

166974-23-8

Chemical Information

Monosodium 4,6-dichloro-3-((E)-(2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-1H-indole-2-carboxylate

CAS Number	166974-23-8
PubChem CID	23663997
IUPAC Name	sodium 4,6-dichloro-3-[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl]-1H-indole-2-carboxylate
Molecular Formula	C20H13Cl2N2NaO3
Molecular Weight	423.2
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	28
Formal Charge	0
Complexity	641

SMILES

C\1CN(C(=O)/C1=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)[O-])C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C20H14Cl2N2O3.Na/c21-12-9-15(22)17-14(18(20(26)27)23-16(17)10-12)8-11-6-7-24(19(11)25)13-4-2-1-3-5-13;/h1-5,8-10,23H,6-7H2,(H,26,27);/q;+1/p-1/b11-8+;

InChIKey

QHGFBRVHKFAYAP-YGCVIUNWSA-M

Chemical Structure

2D Structure

CAS: 166974-23-8

CID: 23663997

Formula: C20H13Cl2N2NaO3

MW: 423.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	423.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	422.0200920
Monoisotopic Mass	422.0200920
Topological Polar Surface Area	76.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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GV-196771A 1mg

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