1-chloro-2-nitroso-4-propan-2-ylbenzene

C9H10ClNO — CID 118242296

IUPAC1-chloro-2-nitroso-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C9H10ClNO/c1-6(2)7-3-4-8(10)9(5-7)11-12/h3-6H,1-2H3
InChIKeyOICFVQWYVCBONS-UHFFFAOYSA-N
MW183.64 g/mol
LogP3.86
Rot. Bonds2

About 1-chloro-2-nitroso-4-propan-2-ylbenzene

1-chloro-2-nitroso-4-propan-2-ylbenzene (PubChem CID 118242296) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-chloro-2-nitroso-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-nitroso-4-propan-2-ylbenzene
PubChem CID118242296
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-chloro-2-nitroso-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(N=O)c1
InChIInChI=1S/C9H10ClNO/c1-6(2)7-3-4-8(10)9(5-7)11-12/h3-6H,1-2H3
InChIKeyOICFVQWYVCBONS-UHFFFAOYSA-N
XLogP3.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 168894459
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1-chloro-4-methylsulfonyl-2-nitrosobenzene
CID 174894996
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
1-bromo-2-chloro-4-propan-2-ylbenzene
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1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
CID 170073168
1-(2-chloro-4-propan-2-ylphenyl)-2-methylpropan-1-one
CID 163264575
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
2-chloro-1-isocyano-4-propan-2-ylbenzene
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N-(2-chloro-5-propan-2-ylphenyl)-N-methylcarbamate
CID 21398762

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-nitroso-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-nitroso-4-propan-2-ylbenzene (CID 118242296) is 1-chloro-2-nitroso-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-nitroso-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-nitroso-4-propan-2-ylbenzene is CC(C)c1ccc(Cl)c(N=O)c1.
What is the InChIKey of 1-chloro-2-nitroso-4-propan-2-ylbenzene?
The InChIKey is OICFVQWYVCBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-6(2)7-3-4-8(10)9(5-7)11-12/h3-6H,1-2H3.
What are the key properties of 1-chloro-2-nitroso-4-propan-2-ylbenzene?
1-chloro-2-nitroso-4-propan-2-ylbenzene has a molecular weight of 183.64 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-nitroso-4-propan-2-ylbenzene is sourced from PubChem (CID 118242296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).