1-chloro-3-methyl-2-nitrosobenzene

C7H6ClNO — CID 89289112

IUPAC1-chloro-3-methyl-2-nitrosobenzene
SMILESCc1cccc(Cl)c1N=O
InChIInChI=1S/C7H6ClNO/c1-5-3-2-4-6(8)7(5)9-10/h2-4H,1H3
InChIKeyXYGQPEOTPBRQII-UHFFFAOYSA-N
MW155.58 g/mol
LogP3.05
Rot. Bonds1

About 1-chloro-3-methyl-2-nitrosobenzene

1-chloro-3-methyl-2-nitrosobenzene (PubChem CID 89289112) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is 1-chloro-3-methyl-2-nitrosobenzene.

Molecular Properties

Compound Name1-chloro-3-methyl-2-nitrosobenzene
PubChem CID89289112
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name1-chloro-3-methyl-2-nitrosobenzene
SMILESCc1cccc(Cl)c1N=O
InChIInChI=1S/C7H6ClNO/c1-5-3-2-4-6(8)7(5)9-10/h2-4H,1H3
InChIKeyXYGQPEOTPBRQII-UHFFFAOYSA-N
XLogP3.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2-nitrosobenzene?
The IUPAC name of 1-chloro-3-methyl-2-nitrosobenzene (CID 89289112) is 1-chloro-3-methyl-2-nitrosobenzene.
What is the SMILES notation for 1-chloro-3-methyl-2-nitrosobenzene?
The canonical SMILES for 1-chloro-3-methyl-2-nitrosobenzene is Cc1cccc(Cl)c1N=O.
What is the InChIKey of 1-chloro-3-methyl-2-nitrosobenzene?
The InChIKey is XYGQPEOTPBRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c1-5-3-2-4-6(8)7(5)9-10/h2-4H,1H3.
What are the key properties of 1-chloro-3-methyl-2-nitrosobenzene?
1-chloro-3-methyl-2-nitrosobenzene has a molecular weight of 155.58 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2-nitrosobenzene is sourced from PubChem (CID 89289112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).