2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID
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2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID
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CAS No:
147819-14-5
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Formula:
C12H11ClO5
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Chemical Name:
2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID
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Synonyms:
2-[1-(4-chlorophenyl)-1-oxopropan-2-yl]propanedioic acid;Propanedioic acid,2-[2-(4-chlorophenyl)-1-methyl-2-oxoethyl]-;2-Carboxy-3-(4-chlorobenzoyl)butanoicacid;ACMC-1C91Q;2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID;CTK4C5587;DTXSID50697601;A808697;[1-(4-Chlorophenyl)-1-oxopropan-2-yl]propanedioic acid;2-[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]propanedioic acid
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CAS No:
2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID Use and Manufacturing
It is prepared by reacting 1-(α-bromopropionyl)-4-chlorobenzene with diethyl malonate with the participation of phase transfer catalyst TEBA-Cl, and then hydrolyzing it.
Myocardial excitatory intermediate of pimobendan.
Computed Properties
Molecular Weight:270.66
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:270.0295011
Monoisotopic Mass:270.0295011
Topological Polar Surface Area:91.7
Heavy Atom Count:18
Complexity:332
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-CARBOXY-3-(4-CHLOROBENZOYL)BUTANOIC ACID
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