5-Fluoro-1h-indazol-6-ylboronic acid - CAS 1253911-22-6

Catalog:	BB065061
Product Name:	5-Fluoro-1h-indazol-6-ylboronic acid
CAS:	1253911-22-6
Synonyms:	5-Fluoro-1H-indazol-6-yl-6-boronic acid; (5-fluoro-1H-indazol-6-yl)boronic acid; 5-Fluoro-1H-indazole-6-boronic acid; 5-fluoro-1H-indazol-6-ylboronic acid; (5-fluoro-1H-indazol-6-yl)boronicacid; (5-Fluoro-2h-indazol-6-yl)boronic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(5-fluoro-1H-indazol-6-yl)boronic acid
Description:	5-Fluoro-1h-indazol-6-ylboronic acid
Molecular Weight:	179.94
Molecular Formula:	C7H6BFN2O2
Canonical SMILES:	B(C1=CC2=C(C=C1F)C=NN2)(O)O
InChI:	InChI=1S/C7H6BFN2O2/c9-6-1-4-3-10-11-7(4)2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:	DLZXQAWSJNFDIC-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0506358
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	180.0506358
Rotatable Bond Count:	1
Topological Polar Surface Area:	69.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0