chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate

C10H10ClNO6 — CID 66825141

IUPACchloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate
SMILESCOc1cc(CC(=O)OCl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H10ClNO6/c1-16-8-3-6(4-10(13)18-11)7(12(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3
InChIKeyHVCKCZSDJYBXKD-UHFFFAOYSA-N
MW275.64 g/mol
LogP1.85
Rot. Bonds5

About chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate

chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate (PubChem CID 66825141) has the molecular formula C10H10ClNO6 and a molecular weight of 275.64 g/mol. Its IUPAC name is chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate.

Molecular Properties

Compound Namechloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate
PubChem CID66825141
Molecular FormulaC10H10ClNO6
Molecular Weight275.64 g/mol
Exact Mass275.02
IUPAC Namechloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate
SMILESCOc1cc(CC(=O)OCl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H10ClNO6/c1-16-8-3-6(4-10(13)18-11)7(12(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3
InChIKeyHVCKCZSDJYBXKD-UHFFFAOYSA-N
XLogP1.85
TPSA87.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
2-(5-chloro-4-methoxy-2-nitrophenyl)acetic acid
CID 171003063
bis((4,5-dimethoxy-2-nitrophenyl)methyl propanoate);methane
CID 160819658
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
(4,5-dimethoxy-2-nitrophenyl)methyl-trimethylsilane
CID 14108631
(4,5-dimethoxy-2-nitrophenyl)methyl carbamoperoxoate
CID 155576632
2-[5-(bromomethyl)-4-methoxy-2-nitrophenyl]acetic acid
CID 171011245
(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
(2S)-2-amino-4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-4-oxobutanoic acid
CID 118912666
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
(4,5-dimethoxy-2-nitrophenyl)methyl N-methylcarbamate;ethane
CID 170600738
3-[(4,5-dimethoxy-2-nitrophenyl)methoxy]-3-methylbutan-2-one
CID 59707797

Frequently Asked Questions

What is the IUPAC name of chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The IUPAC name of chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate (CID 66825141) is chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate.
What is the SMILES notation for chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The canonical SMILES for chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate is COc1cc(CC(=O)OCl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
The InChIKey is HVCKCZSDJYBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO6/c1-16-8-3-6(4-10(13)18-11)7(12(14)15)5-9(8)17-2/h3,5H,4H2,1-2H3.
What are the key properties of chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate?
chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate has a molecular weight of 275.64 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(4,5-dimethoxy-2-nitrophenyl)acetate is sourced from PubChem (CID 66825141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).