AG001OR5

156487-13-7 | Boronic acid, B-(4-butoxy-3-fluorophenyl)-

AG001OR5

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CAS Number	156487-13-7
Catalog Number	AG001OR5(AGN-PC-00UQAX)
Chemical Name	Boronic acid, B-(4-butoxy-3-fluorophenyl)-
IUPAC Name	(4-butoxy-3-fluorophenyl)boronic acid
InChI	InChI=1S/C10H14BFO3/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	JVHCUZXLXOUYHX-UHFFFAOYSA-N
MDL Number	MFCD06411286
Molecular Formula	C10H14BFO3
Molecular Weight	212.0258
SMILES	CCCCOC1=C(F)C=C(C=C1)B(O)O
Synonyms	4-Butoxy-3-fluorophenylboronic acid, 156487-13-7, (4-Butoxy-3-fluorophenyl)boronic acid, ACMC-209de0, SCHEMBL177383, CTK4C9082, DTXSID00584279, JVHCUZXLXOUYHX-UHFFFAOYSA-N, ANW-21622, MFCD06411286, AKOS004114044, ZINC169747890, AB25193, RTR-006559, (4-Butoxy-3-fluoro-phenyl)boronic acid, BC001999, BP-12116, PC412067, AX8218060, Boronic acid,B-(4-butoxy-3-fluorophenyl)-, TR-054613, ST24034643, X1333, Boronic acid, B-(4-butoxy-3-fluorophenyl)-, Q-7662, I04-2234, C10H14BFO3, (4-Butoxy-3-fluorophenyl)boronicacid, 5-CHLORO-N-[2-(4-ETHYLPHENOXY)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	212.102g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.027g/mol
Monoisotopic Mass	212.102g/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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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