2-nitro-3-sulfanylbenzoyl chloride;zinc

C7H4ClNO3SZn — CID 174848151

IUPAC2-nitro-3-sulfanylbenzoyl chloride;zinc
SMILESO=C(Cl)c1cccc(S)c1[N+](=O)[O-].[Zn]
InChIInChI=1S/C7H4ClNO3S.Zn/c8-7(10)4-2-1-3-5(13)6(4)9(11)12;/h1-3,13H;
InChIKeyYGSWHJWKEGCKPE-UHFFFAOYSA-N
MW283.02 g/mol
LogP2.26
Rot. Bonds2

About 2-nitro-3-sulfanylbenzoyl chloride;zinc

2-nitro-3-sulfanylbenzoyl chloride;zinc (PubChem CID 174848151) has the molecular formula C7H4ClNO3SZn and a molecular weight of 283.02 g/mol. Its IUPAC name is 2-nitro-3-sulfanylbenzoyl chloride;zinc.

Molecular Properties

Compound Name2-nitro-3-sulfanylbenzoyl chloride;zinc
PubChem CID174848151
Molecular FormulaC7H4ClNO3SZn
Molecular Weight283.02 g/mol
Exact Mass280.89
IUPAC Name2-nitro-3-sulfanylbenzoyl chloride;zinc
SMILESO=C(Cl)c1cccc(S)c1[N+](=O)[O-].[Zn]
InChIInChI=1S/C7H4ClNO3S.Zn/c8-7(10)4-2-1-3-5(13)6(4)9(11)12;/h1-3,13H;
InChIKeyYGSWHJWKEGCKPE-UHFFFAOYSA-N
XLogP2.26
TPSA60.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.02
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-nitro-3-sulfanylbenzamide
CID 151776475
2,3-dinitrobenzene-1,4-dicarbonyl chloride
CID 71323152
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
3-ethyl-2-nitrobenzoyl chloride
CID 139644229
3-ethoxy-2-nitrobenzoyl chloride
CID 139644234
2-hydroxy-3-sulfanylbenzoyl chloride
CID 141300950
2-nitrobenzene-1,3-dicarboxylate
CID 19386615
2-nitro-3-sulfanylbenzaldehyde
CID 89138757
2-methoxy-3-nitrobenzoyl chloride
CID 21406531
1,2-bis(2,3-dinitrophenyl)ethane-1,2-dione
CID 18546886
4-cyano-2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 170996249
4-fluoro-3-formyl-2-nitrobenzoyl chloride
CID 171014741

Frequently Asked Questions

What is the IUPAC name of 2-nitro-3-sulfanylbenzoyl chloride;zinc?
The IUPAC name of 2-nitro-3-sulfanylbenzoyl chloride;zinc (CID 174848151) is 2-nitro-3-sulfanylbenzoyl chloride;zinc.
What is the SMILES notation for 2-nitro-3-sulfanylbenzoyl chloride;zinc?
The canonical SMILES for 2-nitro-3-sulfanylbenzoyl chloride;zinc is O=C(Cl)c1cccc(S)c1[N+](=O)[O-].[Zn].
What is the InChIKey of 2-nitro-3-sulfanylbenzoyl chloride;zinc?
The InChIKey is YGSWHJWKEGCKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3S.Zn/c8-7(10)4-2-1-3-5(13)6(4)9(11)12;/h1-3,13H;.
What are the key properties of 2-nitro-3-sulfanylbenzoyl chloride;zinc?
2-nitro-3-sulfanylbenzoyl chloride;zinc has a molecular weight of 283.02 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-3-sulfanylbenzoyl chloride;zinc is sourced from PubChem (CID 174848151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).