AG001OVB

156635-88-0 | Boronic acid, B-[3,5-difluoro-4-(phenylmethoxy)phenyl]-

AG001OVB

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CAS Number	156635-88-0
Catalog Number	AG001OVB(AGN-PC-0WAA03)
Chemical Name	Boronic acid, B-[3,5-difluoro-4-(phenylmethoxy)phenyl]-
IUPAC Name	(3,5-difluoro-4-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H11BF2O3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key	YWUHRGQYLQMLHW-UHFFFAOYSA-N
MDL Number	MFCD16295234
Molecular Formula	C13H11BF2O3
Molecular Weight	264.0324
SMILES	FC1=C(OCC2=CC=CC=C2)C(F)=CC(B(O)O)=C1
Synonyms	156635-88-0, 4-Benzyloxy-3,5-difluorophenylboronic acid, (4-(Benzyloxy)-3,5-difluorophenyl)boronic acid, [4-(Benzyloxy)-3,5-difluorophenyl]boronic acid, AK-61586, ACMC-209dee, SCHEMBL2005338, CTK8B0885, DTXSID10716589, YWUHRGQYLQMLHW-UHFFFAOYSA-N, CS-B1240, KS-00000P4U, ANW-21636, BBL102078, MFCD16295234, STL555877, AKOS015893102, ZINC169748193, BC001828, DS-14792, PC412068, TC-110381, ST24034554, Z0231, (4-Benzyloxy-3,5-difluoro-phenyl)boronic acid, B-7334, I04-2168, {3,5-difluoro-4-[(phenylmethyl)oxy]phenyl}boronic acid, Boronic acid, B-[3,5-difluoro-4-(phenylmethoxy)phenyl]-, C13H11BF2O3, ACN-044110,

Complexity	263
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.077g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	264.035g/mol
Monoisotopic Mass	264.077g/mol
Rotatable Bond Count	4
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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