AG00II4B

943831-11-6 | (2-Chloro-4-fluoro-3-methoxyphenyl)boronic acid

AG00II4B

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CAS Number	943831-11-6
Catalog Number	AG00II4B(AGN-PC-0I4719)
Chemical Name	(2-Chloro-4-fluoro-3-methoxyphenyl)boronic acid
IUPAC Name	(2-chloro-4-fluoro-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H7BClFO3/c1-13-7-5(10)3-2-4(6(7)9)8(11)12/h2-3,11-12H,1H3
InChI Key	JJCNIMMFMDOIAR-UHFFFAOYSA-N
MDL Number	MFCD23379545
Molecular Formula	C7H7BClFO3
Molecular Weight	204.3911
SMILES	COC1=C(Cl)C(B(O)O)=CC=C1F
Synonyms	(2-Chloro-4-fluoro-3-methoxyphenyl)boronic acid, 943831-11-6, AK142729, 2-chloro-3-Methoxy-4-fluorobenzene boronic acid, SCHEMBL3839073, DTXSID50739070, KS-00000RX9, MFCD23379545, AKOS022175158, ZINC169746812, FCH2318315, AS-55579, AX8261197, ST2414164, 4CH-012629, 2-chloro-4-fluoro-3-methoxyphenylboronic acid, ACN-051750,

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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