532951-77-2
4-CHLORO-3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-CHLORO-3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H9 Cl2 N3 O5 S
MolWeight
414.224
1Identification
【Name】
4-CHLORO-3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03574143
【English Synonyms】
【Formula】
C15 H9 Cl2 N3 O5 S
【MolWeight】
414.224
【Inchi】
InChI=1S/C15H9Cl2N3O5S/c16-10-4-2-8(20(24)25)6-9(10)13(21)19-15(26)18-12-5-7(14(22)23)1-3-11(12)17/h1-6H,(H,22,23)(H2,18,19,21,26)
【InChIKey】
InChIKey=KPYWNKYTGAUNTN-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)O)NC(=S)NC(=O)c2cc(ccc2Cl)[N+](=O)[O-])Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CHLORO-3-[[[(2-CHLORO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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