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3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
[CAS# 532949-67-0]

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CAS#: 532949-67-0
Product: 3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
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Identification
Name 3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
Molecular Structure CAS#: 532949-67-0, 3-{[(4-Sec-Butoxybenzoyl)Carbamothioyl]Amino}-4-Chlorobenzoic Acid
Molecular Formula C19H19ClN2O4S
Molecular Weight 406.88
CAS Registry Number 532949-67-0
SMILES Clc2ccc(cc2NC(=S)NC(=O)c1ccc(OC(C)CC)cc1)C(=O)O
InChI 1S/C19H19ClN2O4S/c1-3-11(2)26-14-7-4-12(5-8-14)17(23)22-19(27)21-16-10-13(18(24)25)6-9-15(16)20/h4-11H,3H2,1-2H3,(H,24,25)(H2,21,22,23,27)
InChIKey OSXUMFGODMCYRA-UHFFFAOYSA-N
Properties
Density 1.37g/cm3 (Cal.)
Refractive index 1.653 (Cal.)
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