5-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID

CAS No.
530134-72-6
CCD No.
CCD00396101
Formula
C15 H9 Br Cl N3 O5 S
MolWeight
458.675

Basic Information

Product Name: 5-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
CAS: 530134-72-6
English Synonyms: BENZOIC ACID, 5-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO- ; 5-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-2-CHLORO-BENZOIC ACID
MDL Number.: MFCD03564188
H bond acceptor: 8
H bond donor: 3
Smile: c1cc(c(cc1NC(=S)NC(=O)c2cc(ccc2Br)[N+](=O)[O-])C(=O)O)Cl
InChi: InChI=1S/C15H9BrClN3O5S/c16-11-3-2-8(20(24)25)6-9(11)13(21)19-15(26)18-7-1-4-12(17)10(5-7)14(22)23/h1-6H,(H,22,23)(H2,18,19,21,26)
InChiKey: InChIKey=FVLYLMUDKWKJBN-UHFFFAOYSA-N

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