AG00GU0U

906673-24-3 | 5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole

AG00GU0U

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CAS Number	906673-24-3
Catalog Number	AG00GU0U(AGN-PC-077T4H)
Chemical Name	5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole
IUPAC Name	4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile
InChI	InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2
InChI Key	USZAGAREISWJDP-UHFFFAOYSA-N
MDL Number	MFCD17169940
Molecular Formula	C14H10BNO3
Molecular Weight	251.0451
SMILES	OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2
UNII	Q2R47HGR7P
Synonyms	5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole, AN-2728, AN2728, crisaborole, 906673-24-3, Crisaborole, AN-2728, AN2728, 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile, Eucrisa, AN 2728, UNII-Q2R47HGR7P, Crisaborole topical ointment 2%, 5-(4-cyanophenoxy)-2,3-dihydro-1-hydroxy-2,1-benzoxaborole, Q2R47HGR7P, CHEMBL484785, AK102641, 4-((1-HYDROXY-1,3-DIHYDROBENZO-[C][1,2]OXABOROL-5-YL)OXY)BENZONITRILE, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]benzonitrile, Benzonitrile, 4-((1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy)-, Benzonitrile, 4-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-5-yl)oxy]-, Eucrisa (TN), crisaborole-an2728, Crisaborole (AN2728), Crisaborole (USAN/INN), Crisaborole [USAN:INN], Crisaborole(AN-2728), SCHEMBL595261, C14H10BNO3, GTPL9151, Crisaborole, >=98% (HPLC), CTK8C0958, DTXSID10238231, CHEBI:134677, USZAGAREISWJDP-UHFFFAOYSA-N, BCP08677, EX-A1087, 5098AC, ABP001114, ANW-65536, BDBM50277665, MFCD17169940, 4-((1-Hydroxy-1,3-dihydrobenzo(c)(1,2)oxaborol-6-yl)oxy)benzonitrile, AKOS016005425, ZINC169748244, API0013781, CS-1057, DB05219, SB16802, compound 5b [PMID: 19303290], KS-0000063U, NCGC00345792-01, NCGC00345792-02, AC-30331, BC245091, HY-10978, AX8234180, DB-078771, TC-154281, FT-0767999, ST24042710, D10873, W-5676, 5-(4-cyanophenoxy)-1-hydroxy-2,1-benzoxaborole, 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzonitrile, 4-[(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)oxy]benzonitrile, 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yloxy)benzonitrile, Crisaborole [USAN], D0SM0W, ACN-054112, A12776,

Complexity	361
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.075g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.048g/mol
Monoisotopic Mass	251.075g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	62.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number