AG003BV2

480438-55-9 | (4-Butoxy-3-chlorophenyl)boronic acid

AG003BV2

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CAS Number	480438-55-9
Catalog Number	AG003BV2(AGN-PC-0LOD13)
Chemical Name	(4-Butoxy-3-chlorophenyl)boronic acid
IUPAC Name	(4-butoxy-3-chlorophenyl)boronic acid
InChI	InChI=1S/C10H14BClO3/c1-2-3-6-15-10-5-4-8(11(13)14)7-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3
InChI Key	AOKJNAVCTPBFPJ-UHFFFAOYSA-N
MDL Number	MFCD04974064
Molecular Formula	C10H14BClO3
Molecular Weight	228.4804
SMILES	CCCCOC1=C(Cl)C=C(C=C1)B(O)O
Synonyms	4-Butoxy-3-chlorophenylboronic acid, 480438-55-9, (4-butoxy-3-chlorophenyl)boronic acid, AK-85446, AC1NPB9L, ACMC-1AO4S, SCHEMBL257737, CTK4J0587, DTXSID50409524, AOKJNAVCTPBFPJ-UHFFFAOYSA-N, KS-000010IX, ANW-30612, MFCD04974064, AKOS004114016, ZINC169747762, AB21453, CS-W000941, RTR-017631, BC001498, BP-12103, DS-18082, OR360254, AX8236262, TR-054612, 4CH-003078, FT-0713913, ST24034642, X0842, Q-7659, BORONIC ACID, (4-BUTOXY-3-CHLOROPHENYL)-, I04-6677, C10H14BClO3, ACN-044109, CID5201211, (4-butoxy-3-chloro-phenyl)boronic Acid, Boronic acid, (4-butoxy-3-chlorophenyl)- (9CI), 5-CHLORO-N-[2-(4-CHLOROPHENOXY)PROPYL]-2-METHYLANILINE,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.072g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	228.479g/mol
Monoisotopic Mass	228.072g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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