531517-33-6
4-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
4-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C15 H10 Br N3 O5 S
MolWeight
424.23
1Identification
【Name】
4-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03565641
【English Synonyms】
【Formula】
C15 H10 Br N3 O5 S
【MolWeight】
424.23
【Inchi】
InChI=1S/C15H10BrN3O5S/c16-12-6-5-10(19(23)24)7-11(12)13(20)18-15(25)17-9-3-1-8(2-4-9)14(21)22/h1-7H,(H,21,22)(H2,17,18,20,25)
【InChIKey】
InChIKey=URFCKVKITRPIII-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)O)NC(=S)NC(=O)c2cc(ccc2Br)[N+](=O)[O-]
【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-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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Catalog No:U82710 nullnull
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Catalog No:U82710 nullnull
Country/Region:United States
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http://www.AsisChem.com
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