1-chloro-4-(1-nitrosoethyl)benzene

C8H8ClNO — CID 54345655

IUPAC1-chloro-4-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3
InChIKeyFMWKNYZCWOFRTH-UHFFFAOYSA-N
MW169.61 g/mol
LogP3.17
Rot. Bonds2

About 1-chloro-4-(1-nitrosoethyl)benzene

1-chloro-4-(1-nitrosoethyl)benzene (PubChem CID 54345655) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-chloro-4-(1-nitrosoethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-nitrosoethyl)benzene
PubChem CID54345655
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-chloro-4-(1-nitrosoethyl)benzene
SMILESCC(N=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3
InChIKeyFMWKNYZCWOFRTH-UHFFFAOYSA-N
XLogP3.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-(4-chlorophenyl)ethylazanium
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1-chloro-4-(2-nitrosopropyl)benzene
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1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
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2-(4-chlorophenyl)-2-nitrosoethanethioamide
CID 123527426
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
CID 70496086
CID 70496086
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
3-(4-chlorophenyl)butan-2-one
CID 21269944
1-chloro-4-(3-methylbutan-2-yl)benzene;ethane
CID 166470462
N-[1-(4-chlorophenyl)ethyl]-1-phenylethanimine
CID 22603743

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-nitrosoethyl)benzene?
The IUPAC name of 1-chloro-4-(1-nitrosoethyl)benzene (CID 54345655) is 1-chloro-4-(1-nitrosoethyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-nitrosoethyl)benzene?
The canonical SMILES for 1-chloro-4-(1-nitrosoethyl)benzene is CC(N=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-nitrosoethyl)benzene?
The InChIKey is FMWKNYZCWOFRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3.
What are the key properties of 1-chloro-4-(1-nitrosoethyl)benzene?
1-chloro-4-(1-nitrosoethyl)benzene has a molecular weight of 169.61 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-nitrosoethyl)benzene is sourced from PubChem (CID 54345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).