AG00890Q

889849-21-2 | 4-bromo-2-methoxyphenylboronic acid

AG00890Q

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CAS Number	889849-21-2
Catalog Number	AG00890Q(AGN-PC-0WAA2U)
Chemical Name	4-bromo-2-methoxyphenylboronic acid
IUPAC Name	(4-bromo-2-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H8BBrO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4,10-11H,1H3
InChI Key	VJWDDRPEDLXFLY-UHFFFAOYSA-N
MDL Number	MFCD11856025
Molecular Formula	C7H8BBrO3
Molecular Weight	230.8516
SMILES	COC1=C(C=CC(Br)=C1)B(O)O
Synonyms	889849-21-2, 4-BROMO-2-METHOXYPHENYLBORONIC ACID, (4-Bromo-2-methoxyphenyl)boronic acid, 4-bromo-2-methoxyphenylboronicacid, ACMC-209qy8, SCHEMBL4908473, CTK5G2066, DTXSID50681883, VJWDDRPEDLXFLY-UHFFFAOYSA-N, ACT09270, ANW-39198, MFCD11856025, 4-bromo2-methoxy-phenyl boronic acid, AKOS015835526, ZINC169747934, FCH1406913, RP27921, (4-Bromo-2-methoxy-phenyl)boronic acid, AK-62092, DA-17580, OR360478, AB0043124, AX8218053, TR-038241, FT-0726013, ST24034616, Z1028, A-4698, I04-1765, J-514668, C7H8BBrO3, CB11580,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.852g/mol
Monoisotopic Mass	229.975g/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

Lot Number