1H-Indazole-5-boronic acid

C7H7BN2O2CAS 338454-14-1161.95 g/mol

BNHNHOHO
Boronic acid

Properties

Molecular formula
C7H7BN2O2
Molar mass
161.95 g/mol
Exact mass
162.0601 Da
logP
-0.76Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
338454-14-1
SMILES
B(C1=CC2=C(C=C1)NN=C2)(O)O
InChIKey
CLVPGJWAMIADSY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BN2O2/c11-8(12)6-1-2-7-5(3-6)4-9-10-7/h1-4,11-12H,(H,9,10)

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Type any one amount. The others follow from the molar mass.

Work with 1H-Indazole-5-boronic acid

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere