AG0001MB

1003298-72-3 | Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-

AG0001MB

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CAS Number	1003298-72-3
Catalog Number	AG0001MB(AGN-PC-0WBRPX)
Chemical Name	Boronic acid, B-(3-chloro-5-fluoro-4-hydroxyphenyl)-
IUPAC Name	(3-chloro-5-fluoro-4-hydroxyphenyl)boronic acid
InChI	InChI=1S/C6H5BClFO3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10-12H
InChI Key	WETMDTXTPLMJHT-UHFFFAOYSA-N
MDL Number	MFCD18447589
Molecular Formula	C6H5BClFO3
Molecular Weight	190.3645
SMILES	OC1=C(F)C=C(B(O)O)C=C1Cl
Synonyms	(3-Chloro-5-fluoro-4-hydroxyphenyl)boronic acid, 1003298-72-3, 3-Chloro-5-fluoro-4-hydroxyphenylboronic acid, BORONIC ACID, B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)-, SCHEMBL4051258, WETMDTXTPLMJHT-UHFFFAOYSA-N, MFCD18447589, AKOS006322465, ZINC169748173, AK-61377, BC001793, DS-14764, ST24034360, Y3504, Q-8798, 3-Chloro-5-fluoro-4-hydroxyphenyl-boronic Acid, B-(3-CHLORO-5-FLUORO-4-HYDROXYPHENYL)-BORONIC ACID, C6H5BClFO3,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	190.361g/mol
Monoisotopic Mass	190g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.7A^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

Lot Number