AG008F7Z

867333-04-8 | 6-Chloro-2-fluoro-3-methoxyphenylboronicacid

AG008F7Z

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CAS Number	867333-04-8
Catalog Number	AG008F7Z(AGN-PC-078TF4)
Chemical Name	6-Chloro-2-fluoro-3-methoxyphenylboronicacid
IUPAC Name	(6-chloro-2-fluoro-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H7BClFO3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3
InChI Key	CVKDGGIRBCXOSZ-UHFFFAOYSA-N
MDL Number	MFCD11617260
Molecular Formula	C7H7BClFO3
Molecular Weight	204.3911
SMILES	c1(ccc(c(c1F)B(O)O)Cl)OC
Synonyms	867333-04-8, (6-chloro-2-fluoro-3-methoxyphenyl)boronic acid, 6-Chloro-2-fluoro-3-methoxyphenylboronic acid, 6-Chloro-2-fluoro-3-methoxyphenylboronicacid, 2-Fluoro-3-methoxy-6-chlorophenylboronic acid, AK-84147, SCHEMBL4266378, CTK5F7154, DTXSID40659410, KS-00000J6E, ANW-57485, MFCD11617260, AKOS015853387, ZINC169747941, FCH1405645, RL05374, RTR-027009, BC001238, DS-17392, PC412090, AX8196698, DB-029255, TR-027009, BB 0260482, FT-0655293, ST24034921, X1395, Q-8193, (6-Chloro-2-fluoro-3-methoxy-phenyl)boronic acid, A841819, I04-0833, J-518516, (6-chloranyl-2-fluoranyl-3-methoxy-phenyl)boronic acid, BORONIC ACID, B-(6-CHLORO-2-FLUORO-3-METHOXYPHENYL)-, C7H7BClFO3,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.016g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.388g/mol
Monoisotopic Mass	204.016g/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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