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

C8H6ClNO — CID 134879196

IUPAC[(E)-2-chloro-1-nitrosoethenyl]benzene
SMILESO=N/C(=C/Cl)c1ccccc1
InChIInChI=1S/C8H6ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyBCVUIOWFYCZNSV-SOFGYWHQSA-N
MW167.59 g/mol
LogP2.99
Rot. Bonds2

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

[(E)-2-chloro-1-nitrosoethenyl]benzene (PubChem CID 134879196) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is [(E)-2-chloro-1-nitrosoethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-chloro-1-nitrosoethenyl]benzene
PubChem CID134879196
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name[(E)-2-chloro-1-nitrosoethenyl]benzene
SMILESO=N/C(=C/Cl)c1ccccc1
InChIInChI=1S/C8H6ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyBCVUIOWFYCZNSV-SOFGYWHQSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloro-1-nitrosoethenyl]benzene?
The IUPAC name of [(E)-2-chloro-1-nitrosoethenyl]benzene (CID 134879196) is [(E)-2-chloro-1-nitrosoethenyl]benzene.
What is the SMILES notation for [(E)-2-chloro-1-nitrosoethenyl]benzene?
The canonical SMILES for [(E)-2-chloro-1-nitrosoethenyl]benzene is O=N/C(=C/Cl)c1ccccc1.
What is the InChIKey of [(E)-2-chloro-1-nitrosoethenyl]benzene?
The InChIKey is BCVUIOWFYCZNSV-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6ClNO/c9-6-8(10-11)7-4-2-1-3-5-7/h1-6H/b8-6+.
What are the key properties of [(E)-2-chloro-1-nitrosoethenyl]benzene?
[(E)-2-chloro-1-nitrosoethenyl]benzene has a molecular weight of 167.59 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloro-1-nitrosoethenyl]benzene is sourced from PubChem (CID 134879196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).