carbonochloridic acid;1-chloro-4-nitrobenzene

C7H5Cl2NO4 — CID 88640216

IUPACcarbonochloridic acid;1-chloro-4-nitrobenzene
SMILESO=C(O)Cl.O=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO2.CHClO2/c7-5-1-3-6(4-2-5)8(9)10;2-1(3)4/h1-4H;(H,3,4)
InChIKeyBEEDIYPEPLXATB-UHFFFAOYSA-N
MW238.03 g/mol
LogP3.15
Rot. Bonds1

About carbonochloridic acid;1-chloro-4-nitrobenzene

carbonochloridic acid;1-chloro-4-nitrobenzene (PubChem CID 88640216) has the molecular formula C7H5Cl2NO4 and a molecular weight of 238.03 g/mol. Its IUPAC name is carbonochloridic acid;1-chloro-4-nitrobenzene.

Molecular Properties

Compound Namecarbonochloridic acid;1-chloro-4-nitrobenzene
PubChem CID88640216
Molecular FormulaC7H5Cl2NO4
Molecular Weight238.03 g/mol
Exact Mass236.96
IUPAC Namecarbonochloridic acid;1-chloro-4-nitrobenzene
SMILESO=C(O)Cl.O=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO2.CHClO2/c7-5-1-3-6(4-2-5)8(9)10;2-1(3)4/h1-4H;(H,3,4)
InChIKeyBEEDIYPEPLXATB-UHFFFAOYSA-N
XLogP3.15
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 70381437
CID 70381437
1-chloro-4-nitrobenzene;ethane
CID 90737802
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
CID 141454389
3-(4-chlorophenyl)-2-(4-nitrophenyl)prop-2-enoic acid
CID 5185595
2-(4-chlorophenyl)-3-(4-nitrophenyl)propanoic acid
CID 79430528
1-[(1R,2S)-1,2-dibromo-2-(4-chlorophenyl)ethyl]-4-nitrobenzene
CID 101113752
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
carbonic acid;nitrobenzene
CID 68662598

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;1-chloro-4-nitrobenzene?
The IUPAC name of carbonochloridic acid;1-chloro-4-nitrobenzene (CID 88640216) is carbonochloridic acid;1-chloro-4-nitrobenzene.
What is the SMILES notation for carbonochloridic acid;1-chloro-4-nitrobenzene?
The canonical SMILES for carbonochloridic acid;1-chloro-4-nitrobenzene is O=C(O)Cl.O=[N+]([O-])c1ccc(Cl)cc1.
What is the InChIKey of carbonochloridic acid;1-chloro-4-nitrobenzene?
The InChIKey is BEEDIYPEPLXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.CHClO2/c7-5-1-3-6(4-2-5)8(9)10;2-1(3)4/h1-4H;(H,3,4).
What are the key properties of carbonochloridic acid;1-chloro-4-nitrobenzene?
carbonochloridic acid;1-chloro-4-nitrobenzene has a molecular weight of 238.03 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;1-chloro-4-nitrobenzene is sourced from PubChem (CID 88640216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).