1-chloro-4-nitrobenzene;ethane

C8H10ClNO2 — CID 90737802

IUPAC1-chloro-4-nitrobenzene;ethane
SMILESCC.O=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO2.C2H6/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H;1-2H3
InChIKeyFWFFDCJXKBODCM-UHFFFAOYSA-N
MW187.63 g/mol
LogP3.27
Rot. Bonds1

About 1-chloro-4-nitrobenzene;ethane

1-chloro-4-nitrobenzene;ethane (PubChem CID 90737802) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 1-chloro-4-nitrobenzene;ethane.

Molecular Properties

Compound Name1-chloro-4-nitrobenzene;ethane
PubChem CID90737802
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name1-chloro-4-nitrobenzene;ethane
SMILESCC.O=[N+]([O-])c1ccc(Cl)cc1
InChIInChI=1S/C6H4ClNO2.C2H6/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H;1-2H3
InChIKeyFWFFDCJXKBODCM-UHFFFAOYSA-N
XLogP3.27
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
carbonochloridic acid;1-chloro-4-nitrobenzene
CID 88640216
(4-chlorophenyl)-methyl-(4-nitrophenyl)sulfanium perchlorate
CID 88792412
1-[(1R,2S)-1,2-dibromo-2-(4-chlorophenyl)ethyl]-4-nitrobenzene
CID 101113752
1-bromo-4-nitrobenzene;ethane
CID 91498714
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
1-(4-chlorophenyl)-1-(4-nitrophenyl)urea
CID 141454389
1-chloro-4-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 15716431
1-(4-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064293
CID 59711141
CID 59711141
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-nitrobenzene;ethane?
The IUPAC name of 1-chloro-4-nitrobenzene;ethane (CID 90737802) is 1-chloro-4-nitrobenzene;ethane.
What is the SMILES notation for 1-chloro-4-nitrobenzene;ethane?
The canonical SMILES for 1-chloro-4-nitrobenzene;ethane is CC.O=[N+]([O-])c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-nitrobenzene;ethane?
The InChIKey is FWFFDCJXKBODCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO2.C2H6/c7-5-1-3-6(4-2-5)8(9)10;1-2/h1-4H;1-2H3.
What are the key properties of 1-chloro-4-nitrobenzene;ethane?
1-chloro-4-nitrobenzene;ethane has a molecular weight of 187.63 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-nitrobenzene;ethane is sourced from PubChem (CID 90737802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).