AG006BMQ

957066-03-4 | (2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl)boronic acid

AG006BMQ

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CAS Number	957066-03-4
Catalog Number	AG006BMQ(AGN-PC-0WA6F5)
Chemical Name	(2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl)boronic acid
IUPAC Name	(2-chloro-4-fluoro-5-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H7BClFO4/c1-15-8(12)4-2-5(9(13)14)6(10)3-7(4)11/h2-3,13-14H,1H3
InChI Key	XAEGZJJQEKHVDK-UHFFFAOYSA-N
MDL Number	MFCD09878351
Molecular Formula	C8H7BClFO4
Molecular Weight	232.4012
SMILES	O=C(C1=C(F)C=C(Cl)C(B(O)O)=C1)OC
Synonyms	957066-03-4, (2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl)boronic acid, 2-CHLORO-4-FLUORO-5-(METHOXYCARBONYL)PHENYLBORONIC ACID, [2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl]boronic acid, C8H7BClFO4, ACMC-209s3j, CTK5H8077, DTXSID40674325, ANW-40685, AKOS015849953, ZINC169746598, RTR-029988, PC412151, AX8231336, TR-029988, ST24020195, V9773, B-5124, I04-2468, (2-Chloro-4-fluoro-5-(methoxycarbonyl)-phenyl)boronic acid, (2-Chloro-4-fluoro-5-(methoxycarbonyl)phenyl)boronicacid,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.011g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.398g/mol
Monoisotopic Mass	232.011g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number