AG004J9L

874219-45-1 | 4-Chloro-3-(methoxycarbonyl)phenylboronic acid

AG004J9L

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CAS Number	874219-45-1
Catalog Number	AG004J9L(AGN-PC-03X8KR)
Chemical Name	4-Chloro-3-(methoxycarbonyl)phenylboronic acid
IUPAC Name	(4-chloro-3-methoxycarbonylphenyl)boronic acid
InChI	InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3
InChI Key	YEPWHDGFBVDINZ-UHFFFAOYSA-N
MDL Number	MFCD06801690
Molecular Formula	C8H8BClO4
Molecular Weight	214.4107
SMILES	ClC1=C(C=C(C=C1)B(O)O)C(=O)OC
Synonyms	874219-45-1, 4-CHLORO-3-(METHOXYCARBONYL)PHENYLBORONIC ACID, (4-chloro-3-(methoxycarbonyl)phenyl)boronic acid, 4-Chloro-3-(methoxycarbonyl)benzeneboronic acid, AK-49017, [4-chloro-3-(methoxycarbonyl)phenyl]boronic acid, Benzoicacid, 5-borono-2-chloro-, 1-methyl ester, J-200170, ACMC-209ql9, SCHEMBL660617, CTK5F8372, KS-00000MFV, DTXSID30629622, YEPWHDGFBVDINZ-UHFFFAOYSA-N, ZX-AT005929, ANW-38731, BBL104121, MFCD06801690, OR9368, STL557936, AKOS004119207, ZINC169745553, AB30087, AM87324, CS-W005484, FCH1326799, PS-9502, RTR-027388, VB10680, BC001870, BR-49017, CC-18689, AB0029297, AX8006250, DB-016058, ST2418269, TR-027388, 4-chloro-3-methoxycarbonylphenylboronic acid, 4CH-001329, FT-0645006, X1439, 4-Chloro-3-(methoxycarbonyl)phenylboronicacid, (4-chloro-3-methoxycarbonylphenyl)boronic acid, B-5386, (4-Chloro-3-methoxycarbonyl-phenyl)boronic acid, (4-chloranyl-3-methoxycarbonyl-phenyl)boronic acid, A842162, C-11408, I04-2479, 5-BORONO-2-CHLORO-BENZOIC ACID, 1-METHYL ESTER, 4-Chloro-3-(methoxycarbonyl)phenylboronic acid, AldrichCPR, BENZOIC ACID, 5-BORONO-2-CHLORO-, 1-METHYL ESTER, 4-Chloro-3-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride), C8H8BClO4, ACN-042648, METHYL 5-BORONO-2-CHLOROBENZOATE, C3320,

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	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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