AG003J05

352534-85-1 | (3-Bromo-2-butoxy-5-fluorophenyl)boronic acid

AG003J05

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CAS Number	352534-85-1
Catalog Number	AG003J05(AGN-PC-0RAOYV)
Chemical Name	(3-Bromo-2-butoxy-5-fluorophenyl)boronic acid
IUPAC Name	(3-bromo-2-butoxy-5-fluorophenyl)boronic acid
InChI	InChI=1S/C10H13BBrFO3/c1-2-3-4-16-10-8(11(14)15)5-7(13)6-9(10)12/h5-6,14-15H,2-4H2,1H3
InChI Key	DREJEOAXSCRYPA-UHFFFAOYSA-N
MDL Number	MFCD00051527
Molecular Formula	C10H13BBrFO3
Molecular Weight	290.9218
SMILES	c1(cc(c(c(c1)B(O)O)OCCCC)Br)F
Synonyms	352534-85-1, 3-Bromo-2-butoxy-5-fluorophenylboronic acid, (3-Bromo-2-butoxy-5-fluorophenyl)boronic acid, ACMC-209if5, CTK4H4084, DTXSID20584231, ANW-28143, MFCD06411282, AKOS015834069, ZINC169876852, AB25185, RTR-014590, ACM352534851, BP-11426, PC412241, AX8261400, TR-014590, X0735, I04-1802, Boronic acid,(3-bromo-2-butoxy-5-fluorophenyl)- (9CI), C10H13BBrFO3, 3-BROMO-2-BUTOXY-5-FLUOROPHENYLBORONIC,

Complexity	209
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.013g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	290.923g/mol
Monoisotopic Mass	290.013g/mol
Rotatable Bond Count	5
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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number