944901-52-4
1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
Name
1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
Formula
C9 H6 Br N3 O2
MolWeight
268.069
1Identification
【Name】
1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
【CAS】
106748-14-5
;944901-52-4
【MDL】
MFCD10686820
【English Synonyms】
【Formula】
C9 H6 Br N3 O2
【MolWeight】
268.069
【Inchi】
InChI=1S/C9H6BrN3O2/c10-6-1-3-7(4-2-6)13-5-8(9(14)15)11-12-13/h1-5H,(H,14,15)
【InChIKey】
InChIKey=XTICDBQCZOQKSL-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2cc(nn2)C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-BROMOPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID.cml
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Catalog No:B02499 5G
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