532414-68-9
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C12 H13 Cl N2 O3 S
MolWeight
300.765
1Identification
【Name】
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03569657
【English Synonyms】
【Formula】
C12 H13 Cl N2 O3 S
【MolWeight】
300.765
【Inchi】
InChI=1S/C12H13ClN2O3S/c13-7-3-6-10(16)15-12(19)14-9-5-2-1-4-8(9)11(17)18/h1-2,4-5H,3,6-7H2,(H,17,18)(H2,14,15,16,19)
【InChIKey】
InChIKey=NMESXFCJIPCQEO-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(=O)O)NC(=S)NC(=O)CCCCl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[[(4-CHLORO-1-OXOBUTYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
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AsisChem, Inc.
Catalog No:U80528 nullnull
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Catalog No:U80528 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
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