3-Carboxy-5-nitrophenylboronic acid
Properties
- Molecular formula
- C7H6BNO6
- Molar mass
- 210.94 g/mol
- Exact mass
- 211.0288 Da
- logP
- -1.03Crippen estimate
- Polar surface area
- 120.9 Ų
- H-bond donors / acceptors
- 3 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
101084-81-5SMILES
B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O)(O)OInChIKey
WNIFCLWDGNHGMX-UHFFFAOYSA-NInChI
InChI=1S/C7H6BNO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,12-13H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 3-(Dihydroxyboranyl)-5-nitrobenzoic acid
Work with 3-Carboxy-5-nitrophenylboronic acid
Similar compounds
5-Nitroisophthalic acid618-88-271 % similar
3,5-Dinitrobenzoic acid99-34-371 % similar
3-Methoxycarbonyl-5-nitrophenylboronic acid117342-20-864 % similar
3,5-Dicarboxybenzeneboronic acid881302-73-463 % similar
3-Bromo-5-nitrobenzoic acid6307-83-163 % similar
3-Fluoro-5-nitrobenzoic acid14027-75-961 % similar
3-Amino-5-nitrobenzoic acid618-84-861 % similar
(3-Ethoxycarbonyl-5-nitrophenyl)boronic acid850568-37-560 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.