167626-64-4
3-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
Name
3-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
Formula
C9 H7 N3 O2
MolWeight
189.173
1Identification
【Name】
3-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD08271895
【English Synonyms】
【Formula】
C9 H7 N3 O2
【MolWeight】
189.173
【Inchi】
InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-6-10-5-11-12/h1-6H,(H,13,14)
【InChIKey】
InChIKey=SZKWCOCFEIVCAB-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)n2cncn2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID.cml
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