1-chloro-3-[(E)-2-nitrosoethenyl]benzene

C8H6ClNO — CID 174857866

IUPAC1-chloro-3-[(E)-2-nitrosoethenyl]benzene
SMILESO=N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C8H6ClNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-6H/b5-4+
InChIKeyPZLACRBPSUARMQ-SNAWJCMRSA-N
MW167.59 g/mol
LogP3.08
Rot. Bonds2

About 1-chloro-3-[(E)-2-nitrosoethenyl]benzene

1-chloro-3-[(E)-2-nitrosoethenyl]benzene (PubChem CID 174857866) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 1-chloro-3-[(E)-2-nitrosoethenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(E)-2-nitrosoethenyl]benzene
PubChem CID174857866
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name1-chloro-3-[(E)-2-nitrosoethenyl]benzene
SMILESO=N/C=C/c1cccc(Cl)c1
InChIInChI=1S/C8H6ClNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-6H/b5-4+
InChIKeyPZLACRBPSUARMQ-SNAWJCMRSA-N
XLogP3.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(E)-2-nitrosoethenyl]benzene?
The IUPAC name of 1-chloro-3-[(E)-2-nitrosoethenyl]benzene (CID 174857866) is 1-chloro-3-[(E)-2-nitrosoethenyl]benzene.
What is the SMILES notation for 1-chloro-3-[(E)-2-nitrosoethenyl]benzene?
The canonical SMILES for 1-chloro-3-[(E)-2-nitrosoethenyl]benzene is O=N/C=C/c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-[(E)-2-nitrosoethenyl]benzene?
The InChIKey is PZLACRBPSUARMQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-8-3-1-2-7(6-8)4-5-10-11/h1-6H/b5-4+.
What are the key properties of 1-chloro-3-[(E)-2-nitrosoethenyl]benzene?
1-chloro-3-[(E)-2-nitrosoethenyl]benzene has a molecular weight of 167.59 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(E)-2-nitrosoethenyl]benzene is sourced from PubChem (CID 174857866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).