AG000V95

1309981-00-7 | 3-Bromo-2-chloro-6-methoxyphenylboronic acid

AG000V95

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CAS Number	1309981-00-7
Catalog Number	AG000V95(AGN-PC-078TDW)
Chemical Name	3-Bromo-2-chloro-6-methoxyphenylboronic acid
IUPAC Name	(3-bromo-2-chloro-6-methoxyphenyl)boronic acid
InChI	InChI=1S/C7H7BBrClO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3
InChI Key	QLIFWSMTZIXOGZ-UHFFFAOYSA-N
MDL Number	MFCD12026732
Molecular Formula	C7H7BBrClO3
Molecular Weight	265.2967
SMILES	COC1=C(C(=C(C=C1)Br)Cl)B(O)O
Synonyms	(3-Bromo-2-chloro-6-methoxyphenyl)boronic acid, 1309981-00-7, 3-Bromo-2-chloro-6-methoxyphenylboronic acid, MFCD12026732, CTK7A1304, DTXSID70659382, 5626AA, ANW-69685, AKOS015833875, ZINC169902033, CB-1621, FCH1409453, KS-00000J75, AK-62295, BC001148, DS-14980, AX8197152, DB-028376, TR-057642, CS-0038983, I04-0727, Boronic acid, B-(3-bromo-2-chloro-6-methoxyphenyl)-, C7H7BBrClO3, (3-Bromo-2-chloro-6-methoxyphenyl)boronicacid,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.936g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	265.294g/mol
Monoisotopic Mass	263.936g/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