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3-[(Butyrylcarbamothioyl)Amino]-4-Chlorobenzoic Acid
[CAS# 530130-81-5]

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Identification
Name 3-[(Butyrylcarbamothioyl)Amino]-4-Chlorobenzoic Acid
Synonyms 3-[(butanoylcarbamothioyl)amino]-4-chlorobenzoic acid
Molecular Structure CAS#: 530130-81-5, 3-[(Butyrylcarbamothioyl)Amino]-4-Chlorobenzoic Acid
Molecular Formula C12H13ClN2O3S
Molecular Weight 300.76
CAS Registry Number 530130-81-5
SMILES Clc1ccc(cc1NC(=S)NC(=O)CCC)C(=O)O
InChI 1S/C12H13ClN2O3S/c1-2-3-10(16)15-12(19)14-9-6-7(11(17)18)4-5-8(9)13/h4-6H,2-3H2,1H3,(H,17,18)(H2,14,15,16,19)
InChIKey OJCALLQKESMGGX-UHFFFAOYSA-N
Properties
Density 1.43g/cm3 (Cal.)
Refractive index 1.655 (Cal.)
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