My ChemCD

554405-04-8
5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID

Directory: 1. Identification; 2. Chemical and Physical Properties; 3. Material Safety Data Sheet(MSDS); 4. CML File; 5. TOP Suppliers; 6. Related products

Name

5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID

Formula

C9 H6 N4 O4 S

MolWeight

266.236

CCD No.

CCD00436136

CAS

554405-04-8

MDL

MFCD03970367

1Identification

【Name】

5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID

【CAS】

554405-04-8

【MDL】

MFCD03970367

【English Synonyms】

5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID

5-NITRO-2-(2H-[1,2,4]TRIAZOL-3-YLSULFANYL)-BENZOIC ACID

【Formula】

C9 H6 N4 O4 S

【MolWeight】

266.236

【Inchi】

InChI=1S/C9H6N4O4S/c14-8(15)6-3-5(13(16)17)1-2-7(6)18-9-10-4-11-12-9/h1-4H,(H,14,15)(H,10,11,12)

【InChIKey】

InChIKey=ZSODAIZBVSEAPW-UHFFFAOYSA-N

【SMILES】

c1cc(c(cc1[N+](=O)[O-])C(=O)O)Sc2[nH]ncn2

【MOL File】

5-NITRO-2-(1H-1,2,4-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:8

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID.cml

Quick Release

TOP Suppliers

Enamine
Catalog No:EN300-05227 50G
Catalog No:EN300-05227 1G
Catalog No:EN300-05227 10G
Catalog No:EN300-05227 25G
Catalog No:EN300-05227 2.5G
Catalog No:EN300-05227 5G
Country/Region:Ukraine
Business Type:Trading Company
http://www.enamine.net

More 554405-04-8 Suppliers>>

554405-04-8 5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2Chemical and Physical Properties

【Computed Properties】

3Material Safety Data Sheet(MSDS)

4CML File

TOP Suppliers

Related products

554405-04-8
5-NITRO-2-(1H-1,2,4-TRIAZOL-5-YLSULFANYL)BENZOIC ACID