5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane

C10H14ClNO — CID 142017743

IUPAC5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane
SMILESCC.Cc1cc(Cl)cc(N=O)c1C
InChIInChI=1S/C8H8ClNO.C2H6/c1-5-3-7(9)4-8(10-11)6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyFGJRONPLLYZVTC-UHFFFAOYSA-N
MW199.68 g/mol
LogP4.38
Rot. Bonds1

About 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane

5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane (PubChem CID 142017743) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane
PubChem CID142017743
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane
SMILESCC.Cc1cc(Cl)cc(N=O)c1C
InChIInChI=1S/C8H8ClNO.C2H6/c1-5-3-7(9)4-8(10-11)6(5)2;1-2/h3-4H,1-2H3;1-2H3
InChIKeyFGJRONPLLYZVTC-UHFFFAOYSA-N
XLogP4.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
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N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
CID 123980375
1-chloro-4-fluoro-2-methyl-5-nitrosobenzene
CID 89048368
5-chloro-1-isocyanato-2-methoxy-3-methylbenzene
CID 82282081
(NE)-N-[(4-chloro-2,6-dimethylphenyl)methylidene]hydroxylamine
CID 139053635
1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
(5-chloro-2,3-dimethylphenyl)methanesulfonyl chloride
CID 84707894
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
2,5-dichloro-3-methylaniline;ethane
CID 155747818
5-chloro-N-(2-methylphenyl)-2-nitrosoaniline
CID 139217311
3-chloro-N-methyl-5-nitrosobenzenesulfonamide
CID 89308424

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane?
The IUPAC name of 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane (CID 142017743) is 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane.
What is the SMILES notation for 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane?
The canonical SMILES for 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane is CC.Cc1cc(Cl)cc(N=O)c1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane?
The InChIKey is FGJRONPLLYZVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.C2H6/c1-5-3-7(9)4-8(10-11)6(5)2;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane?
5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane has a molecular weight of 199.68 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-3-nitrosobenzene;ethane is sourced from PubChem (CID 142017743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).