CAS
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4-[(2-Chlorophenyl)amino]-4-oxobutanoic acid
Catalog Number
ACMA00000902
Category
Amines
Molecular Weight
227.64
Molecular Formula
C11H8ClNO3S
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Specification
Hazard Statements
H302-H314-H410
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-(2-chloroanilino)-4-oxobutanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H10ClNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What is the InChIKey of the compound?
The InChIKey of the compound is GWHPLVIIGOTUJS-UHFFFAOYSA-N.
What is the molecular formula of the compound?
The molecular formula of the compound is C10H10ClNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 227.64 g/mol.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 0.7.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 66.4Ų.
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