AG002JT1

208641-98-9 | Boronic acid, B-(3,5-difluoro-4-methoxyphenyl)-

AG002JT1

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CAS Number	208641-98-9
Catalog Number	AG002JT1(AGN-PC-01LQVS)
Chemical Name	Boronic acid, B-(3,5-difluoro-4-methoxyphenyl)-
IUPAC Name	(3,5-difluoro-4-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H7BF2O3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3
InChI Key	JJRIEFCRGWHLES-UHFFFAOYSA-N
MDL Number	MFCD08706257
Molecular Formula	C7H7BF2O3
Molecular Weight	187.9365
SMILES	COC1=C(F)C=C(C=C1F)B(O)O
Synonyms	208641-98-9, 3,5-Difluoro-4-methoxyphenylboronic acid, (3,5-Difluoro-4-methoxyphenyl)boronic acid, 3,5-Difluoro-4-methoxy-phenylboronic acid, 3,5-difluoro-4-methoxybenzeneboronic acid, ACMC-209ffe, SCHEMBL3771015, CTK4E5332, DTXSID00590198, JJRIEFCRGWHLES-UHFFFAOYSA-N, ANW-24264, FCH863312, MFCD08706257, AKOS006289300, ZINC169747893, AB48713, AC-29767, ACM208641989, AK-61675, AS-18753, BC001907, FS005003, PC412069, SY056844, AX8204380, RT-019312, 3,5-Difluoro-4-methoxy-phenyl-boronic acid, CS-0080826, ST24034226, X1343, (3,5-Difluoro-4-methoxy-phenyl)boronic acid, MFCD08706257 (95%), B-7805, Boronic acid, B-(3,5-difluoro-4-methoxyphenyl)-, J-013685, C7H7BF2O3,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.046g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	187.937g/mol
Monoisotopic Mass	188.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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