AG001OVC

156635-87-9 | Boronic acid, [2,3-difluoro-4-(phenylmethoxy)phenyl]- (9CI)

AG001OVC

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CAS Number	156635-87-9
Catalog Number	AG001OVC(AGN-PC-0046YJ)
Chemical Name	Boronic acid, [2,3-difluoro-4-(phenylmethoxy)phenyl]- (9CI)
IUPAC Name	(2,3-difluoro-4-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C13H11BF2O3/c15-12-10(14(17)18)6-7-11(13(12)16)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2
InChI Key	SWMFGSPOFIKKMJ-UHFFFAOYSA-N
MDL Number	MFCD07644469
Molecular Formula	C13H11BF2O3
Molecular Weight	264.0324
SMILES	c1(c(ccc(c1F)B(O)O)OCc1ccccc1)F
Synonyms	156635-87-9, 4-Benzyloxy-2,3-difluorophenylboronic acid, 4-(BENZYLOXY)-2,3-DIFLUOROPHENYLBORONIC ACID, (4-(Benzyloxy)-2,3-difluorophenyl)boronic acid, 4-Benzyloxy-2,3-difluorobenzeneboronic acid, (2,3-difluoro-4-phenylmethoxyphenyl)boronic acid, 2,3-Difluoro-4-benzyloxyphenylboronic acid, [4-(Benzyloxy)-2,3-difluorophenyl]boronic acid, 4-benzyloxy-2,3-difluorophenylboronicacid, ACMC-1C8WN, SCHEMBL2560139, CTK4C9136, KS-00000KWF, DTXSID90570181, SWMFGSPOFIKKMJ-UHFFFAOYSA-N, ZX-AP000937, ANW-21635, MFCD07644469, PC7274, SBB065897, AKOS015839405, ZINC169747865, BP12108, CB-1630, PS-9591, RL02015, RTR-006573, VB10038, AK-40413, BC001160, BP-12108, AX8037935, DB-010644, TR-006573, FT-0655618, ST24043284, V1899, 2,3-Difluoro-4-(benzyloxy)phenylboronic acid, 4-benzyloxy-2,3-difluorobenzeneboronicacid98%, B-3775, 4-benzyloxy-2,3-difluorobenzeneboronic acid 98%, A809761, I04-0759, J-513643, [2,3-bis(fluoranyl)-4-phenylmethoxy-phenyl]boronic acid, 4-(benzyloxy)-2,3-difluorophenylboronic acid, AldrichCPR, Boronic acid, [2,3-difluoro-4-(phenylmethoxy)phenyl]- (9CI), C13H11BF2O3,

Complexity	275
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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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