536979-91-6
5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Name
5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
Formula
C16 H12 I N3 O6 S
MolWeight
501.252
1Identification
【Name】
5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
【CAS】
【MDL】
MFCD03573527
【English Synonyms】
【Formula】
C16 H12 I N3 O6 S
【MolWeight】
501.252
【Inchi】
InChI=1S/C16H12IN3O6S/c1-26-13-5-2-8(6-12(13)20(24)25)14(21)19-16(27)18-11-4-3-9(17)7-10(11)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,27)
【InChIKey】
InChIKey=ZETLDKUHVZTZHC-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(cc2C(=O)O)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-IODO-2-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID.cml
Quick Release
TOP Suppliers
AsisChem, Inc.
Catalog No:U88175 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
More 536979-91-6 Suppliers>>
Catalog No:U88175 nullnull
Country/Region:United States
Business Type:Trading Company
http://www.AsisChem.com
More 536979-91-6 Suppliers>>