AG00337I

854778-30-6 | (2-Chloro-3-methoxyphenyl)boronic acid

AG00337I

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CAS Number	854778-30-6
Catalog Number	AG00337I(AGN-PC-07XTY5)
Chemical Name	(2-Chloro-3-methoxyphenyl)boronic acid
IUPAC Name	(2-chloro-3-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChI Key	ZDWONVAXOXYOJK-UHFFFAOYSA-N
MDL Number	MFCD12913933
Molecular Formula	C7H8BClO3
Molecular Weight	186.4006
SMILES	c1(cccc(c1Cl)B(O)O)OC
Synonyms	854778-30-6, (2-Chloro-3-methoxyphenyl)boronic acid, 2-CHLORO-3-METHOXYPHENYLBORONIC ACID, AK-85577, Boronic acid, (2-chloro-3-methoxyphenyl)-, ACMC-209q63, SCHEMBL1124755, CTK5F5094, DTXSID80674561, BCP26225, KS-00000AS4, ANW-38185, FCH923879, AKOS006335037, ZINC169747161, AM85142, CS-W003841, DS-3086, TRA0048461, DA-02629, OR350096, SY026044, 2-CHLORO-3-METHOXYPHENYLBORONICACID, B-(2-chloro-3-methoxyphenyl)Boronic acid, AX8261305, B-(2-Chloro-3-methoxy-phenyl)boronic acid, ST2407881, TR-038004, 4CH-016437, FT-0708755, X2498, Boronic acid, B-(2-chloro-3-methoxyphenyl)-, B-4672, MFCD12913933 (97+%), I04-2535, J-519638, C7H8BClO3, ACN-046533,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number