AG00IM2F

731817-89-3 | Boronic acid, (2-bromo-3-fluorophenyl)-

AG00IM2F

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CAS Number	731817-89-3
Catalog Number	AG00IM2F(AGN-PC-0HGL2V)
Chemical Name	Boronic acid, (2-bromo-3-fluorophenyl)-
IUPAC Name	(2-bromo-3-fluorophenyl)boronic acid
InChI	InChI=1S/C6H5BBrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H
InChI Key	WSTBHBDRGFAJCK-UHFFFAOYSA-N
MDL Number	MFCD27996941
Molecular Formula	C6H5BBrFO2
Molecular Weight	218.8161
SMILES	c1(cccc(c1Br)B(O)O)F
Synonyms	(2-Bromo-3-fluorophenyl)boronic acid, 731817-89-3, 2-bromo-3-fluorophenylboronic acid, 2-bromo-3-fluorobenzeneboronic acid, SCHEMBL2653798, MFCD27996941, AKOS022188424, ZINC170028120, FCH2518570, AK148565, CS-13302, Boronic acid, (2-bromo-3-fluorophenyl)-, AX8285887, CS-0040510,

Complexity	136
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.955g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	218.816g/mol
Monoisotopic Mass	217.955g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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