532430-59-4
5-BROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-BROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H13 Br N2 O3 S
MolWeight
393.26
1Identification
【Name】
5-BROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03570134
【English Synonyms】
【Formula】
C16 H13 Br N2 O3 S
【MolWeight】
393.26
【Inchi】
InChI=1S/C16H13BrN2O3S/c17-11-6-7-13(12(9-11)15(21)22)18-16(23)19-14(20)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,21,22)(H2,18,19,20,23)
【InChIKey】
InChIKey=DHQGFCUOWSNHPO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CC(=O)NC(=S)Nc2ccc(cc2C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-[[[(PHENYLACETYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U83983 nullnull
Country/Region:United States
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Catalog No:U83983 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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