4-(2H-1,2,3,4-tetrazol-5-yl)phenylboronic acid

4-(2H-1,2,3,4-tetrazol-5-yl)phenylboronic acid

CAS: 179942-55-3

Formula: C7H7BN4O2

SMILES: OB(O)C1=CC=C(C=C1)C1=NNN=N1

IUPAC: [4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid

InChI: InChI=1S/C7H7BN4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4,13-14H,(H,9,10,11,12)

Composition: C (44.26%), H (3.71%), B (5.69%), N (29.49%), O (16.84%)

Molar Mass: 189.97

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	190.066205
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	DXUPJOQUAAVAGV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.97
Topological Polar Surface Area	94.92
Polarizability	18.89
Ring Count	2
Rotatable Bond Count	2

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