AG001C0K

1400809-84-8 | Boronic acid, B-(4'-butyl-3-fluoro[1,1'-biphenyl]-4-yl)-

AG001C0K

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CAS Number	1400809-84-8
Catalog Number	AG001C0K(AGN-PC-07XTG2)
Chemical Name	Boronic acid, B-(4'-butyl-3-fluoro[1,1'-biphenyl]-4-yl)-
IUPAC Name	[4-(4-butylphenyl)-2-fluorophenyl]boronic acid
InChI	InChI=1S/C16H18BFO2/c1-2-3-4-12-5-7-13(8-6-12)14-9-10-15(17(19)20)16(18)11-14/h5-11,19-20H,2-4H2,1H3
InChI Key	GGVROXPECQCGRD-UHFFFAOYSA-N
MDL Number	MFCD10687140
Molecular Formula	C16H18BFO2
Molecular Weight	272.1223
SMILES	FC1=CC(C2=CC=C(CCCC)C=C2)=CC=C1B(O)O
Synonyms	1400809-84-8, (4'-Butyl-3-fluoro-[1,1'-biphenyl]-4-yl)boronic acid, 4'-Butyl-3-fluorobiphenyl-4-boronic acid, KS-00000SM4, ZINC198081978, DS-7801, AK162449, (4-Butyl-3-fluoro-[1,1-biphenyl]-4-yl)boronic acid, Boronic acid, B-(4'-butyl-3-fluoro[1,1'-biphenyl]-4-yl)-,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.138388g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	272.1g/mol
Monoisotopic Mass	272.138388g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	40.5Ų
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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