CAS
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(3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester
Catalog Number
ACMA00000973
Category
Amines
Molecular Weight
244.19
Molecular Formula
C11H9NS
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Specification
Hazard Statements
H302-H318
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The molecular formula is C11H10F2O4.
What is the PubChem CID of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The PubChem CID is 91657869.
What is the IUPAC name of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The IUPAC name is ethyl 2-(3,4-difluoro-5-methoxyphenyl)-2-oxoacetate.
What is the InChI of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The InChI of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester is InChI=1S/C11H10F2O4/c1-3-17-11(15)10(14)6-4-7(12)9(13)8(5-6)16-2/h4-5H,3H2,1-2H3.
What is the InChIKey of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The InChIKey of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester is GMVDLZVVTVQSQR-UHFFFAOYSA-N.
What is the canonical SMILES of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The canonical SMILES is CCOC(=O)C(=O)C1=CC(=C(C(=C1)F)F)OC.
What is the molecular weight of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The molecular weight is 244.19 g/mol.
What is the XLogP3-AA value of (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
The XLogP3-AA value is 2.2.
How many hydrogen bond donor atoms are there in (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
There are 0 hydrogen bond donor atoms.
How many rotatable bonds are there in (3,4-Difluoro-5-methoxyphenyl)oxoacetic acid ethyl ester?
There are 5 rotatable bonds.
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