AG001OR6

156487-12-6 | Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-

AG001OR6

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CAS Number	156487-12-6
Catalog Number	AG001OR6(AGN-PC-0A3MML)
Chemical Name	Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-
EC Number	692-793-0
IUPAC Name	(4-butoxy-2,3-difluorophenyl)boronic acid
InChI	InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h4-5,14-15H,2-3,6H2,1H3
InChI Key	NVIGFYPVKZNNAZ-UHFFFAOYSA-N
MDL Number	MFCD19441186
Molecular Formula	C10H13BF2O3
Molecular Weight	230.0162
SMILES	FC1=C(F)C(B(O)O)=CC=C1OCCCC
Synonyms	156487-12-6, (4-Butoxy-2,3-difluorophenyl)boronic acid, 4-Butoxy-2,3-difluorophenylboronic acid, Boronic acid, (4-butoxy-2,3-difluorophenyl)-, ACMC-209ddz, SCHEMBL429654, CTK8B0884, KS-00000ZEZ, DTXSID10709239, NVIGFYPVKZNNAZ-UHFFFAOYSA-N, ANW-21621, MFCD19441186, AKOS015893107, ZINC169746555, 4-Butoxy-2,3-difluorobenzeneboronic Acid, AK-93666, DA-16735, PC412147, AX8231045, TC-110366, 4CH-011769, B5174, FT-0726661, ST24020541, V3539, B-7333, Boronic acid, B-(4-butoxy-2,3-difluorophenyl)-, I04-2231, 4-Butoxy-2,3-difluorophenylboronic Acid (contains varying amounts of Anhydride), C10H13BF2O3, (4-Butoxy-2,3-difluorophenyl)boronicacid,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.093g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	230.018g/mol
Monoisotopic Mass	230.093g/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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