AG00EB2N

603122-82-3 | (3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID

AG00EB2N

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CAS Number	603122-82-3
Catalog Number	AG00EB2N(AGN-PC-03X8KS)
Chemical Name	(3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID
IUPAC Name	(3-chloro-4-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3
InChI Key	DJOMWLVGTUQULT-UHFFFAOYSA-N
MDL Number	MFCD06659874
Molecular Formula	C8H8BClO4
Molecular Weight	214.4107
SMILES	C(=O)(OC)c1c(Cl)cc(cc1)B(O)O
Synonyms	603122-82-3, (3-Chloro-4-(methoxycarbonyl)phenyl)boronic acid, 3-chloro-4-(methoxycarbonyl)phenylboronic acid, 3-CHLORO-4-METHOXYCARBONYLPHENYLBORONIC ACID, 3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID, (3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID, Methyl 4-borono-2-chlorobenzoate, 3-Chloro-4-(methoxycarbonyl)benzeneboronic acid, [3-chloro-4-(methoxycarbonyl)phenyl]boronic acid, AK-45427, Benzoicacid, 4-borono-2-chloro-, 1-methyl ester, ACMC-209mj3, KSC611G1J, SCHEMBL364081, CTK5B1314, DTXSID90629623, DJOMWLVGTUQULT-UHFFFAOYSA-N, ACT02209, ZX-AT006053, ANW-33469, MFCD06659874, OR1933, AKOS004119208, ZINC169743927, AB26526, ACN-032796, AM87091, CC-2233, CS-W003327, FCH1326829, LS11003, RTR-020845, VB10619, BC000867, BR-45427, SY022113, AB0029232, AX8006249, DB-015871, ST2414265, TR-020845, 4CH-001219, FT-0644798, X1372, 3-chloro-4-methoxycarbonyl-phenylboronic acid, 3-chloro-4-methoxycarbonylphenyl boronic acid, 3-chloro-4-methoxycarbonylphenyl-boronic acid, MFCD06659874 (97%), (3-chloro-4-methoxycarbonylphenyl)boronic acid, B-8229, (3-chloranyl-4-methoxycarbonyl-phenyl)boronic acid, A832684, C-11407, I04-2507, (4-(METHOXYCARBONYL)-3-CHLOROPHENYL)BORONIC ACID, BENZENEBORONICACID, C8H8BClO4, DS-1660, (3-Chloro-4-(methoxycarbonyl)phenyl)boronic acid, 99.8% - 1G 1g, 5744-51-4,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.02g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	214.408g/mol
Monoisotopic Mass	214.02g/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
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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