AG0027CL

179898-50-1 | Boronic acid, (3-chloro-2-methoxyphenyl)- (9CI)

AG0027CL

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CAS Number	179898-50-1
Catalog Number	AG0027CL(AGN-PC-0NKWFD)
Chemical Name	Boronic acid, (3-chloro-2-methoxyphenyl)- (9CI)
IUPAC Name	(3-chloro-2-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BClO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4,10-11H,1H3
InChI Key	VHQABGUEHFRBRI-UHFFFAOYSA-N
MDL Number	MFCD08277278
Molecular Formula	C7H8BClO3
Molecular Weight	186.4006
SMILES	ClC=1C(=C(C=CC1)B(O)O)OC
Synonyms	(3-chloro-2-methoxyphenyl)boronic acid, 179898-50-1, 3-CHLORO-2-METHOXYPHENYLBORONIC ACID, AK-84172, MFCD08277278, PubChem8535, ACMC-209eg4, SCHEMBL6651220, CTK4D7424, DTXSID50578128, VHQABGUEHFRBRI-UHFFFAOYSA-N, ANW-22994, FCH859239, AKOS006287892, ZINC169747543, RTR-008252, ACM179898501, BC001420, DS-17395, OR400468, SY101889, (3-chloranyl-2-methoxy-phenyl)boronic acid, AX8040373, Boronic acid, (3-chloro-2-methoxyphenyl)-, ST2402325, TR-008252, 4CH-018870, CS-0020089, X0581, MFCD08277278 (95%), B-2612, A812498, Boronic acid,(3-chloro-2-methoxyphenyl)- (9CI), Boronic acid, (3-chloro-2-methoxyphenyl)- (9CI), J-011477, I14-37422, C7H8BClO3, (3-Chloro-2-methoxyphenyl)boronicacid, ACN-046550,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	186.398g/mol
Monoisotopic Mass	186.026g/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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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