850567-38-3
3-(1H-TETRAZOL-5-YLCARBAMOYL)BENZENEBORONIC ACID HYDROCHLORIDE
Name
3-(1H-TETRAZOL-5-YLCARBAMOYL)BENZENEBORONIC ACID HYDROCHLORIDE
Formula
C8 H8 B N5 O3 . Cl H
MolWeight
269.455
1Identification
【Name】
3-(1H-TETRAZOL-5-YLCARBAMOYL)BENZENEBORONIC ACID HYDROCHLORIDE
【CAS】
【MDL】
MFCD06659888
【English Synonyms】
【Formula】
C8 H8 B N5 O3 . Cl H
【MolWeight】
269.455
【Inchi】
InChI=1S/C8H8BN5O3.ClH/c15-7(10-8-11-13-14-12-8)5-2-1-3-6(4-5)9(16)17;/h1-4,16-17H,(H2,10,11,12,13,14,15);1H
【InChIKey】
InChIKey=PWSGJXZLSYWEAJ-UHFFFAOYSA-N
【SMILES】
B(c1cccc(c1)C(=O)Nc2[nH]nnn2)(O)O.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
Combi-Blocks Inc. :3-(1H-TETRAZOL-5-YLCARBAMOYL)BENZENEBORONIC ACID HYDROCHLORIDE
4CML File
3-(1H-TETRAZOL-5-YLCARBAMOYL)BENZENEBORONIC ACID HYDROCHLORIDE.cml
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