AG00IMNW

944279-32-7 | 3-Fluoro-4-(3-morpholinopropoxy)phenylboronic acid

AG00IMNW

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CAS Number	944279-32-7
Catalog Number	AG00IMNW(AGN-PC-0WCROH)
Chemical Name	3-Fluoro-4-(3-morpholinopropoxy)phenylboronic acid
IUPAC Name	[3-fluoro-4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
InChI	InChI=1S/C13H19BFNO4/c15-12-10-11(14(17)18)2-3-13(12)20-7-1-4-16-5-8-19-9-6-16/h2-3,10,17-18H,1,4-9H2
InChI Key	KJBZMTQVEIRBFX-UHFFFAOYSA-N
MDL Number	MFCD22418293
Molecular Formula	C13H19BFNO4
Molecular Weight	283.1037
SMILES	OB(C1=CC=C(OCCCN2CCOCC2)C(F)=C1)O
Synonyms	944279-32-7, 3-fluoro-4-(3-morpholinopropoxy)phenylboronic acid, (3-fluoro-4-(3-morpholinopropoxy)phenyl)boronic acid, MFCD22418293, AKOS025286241, ZINC230527930, AM87471, DS-9032, AK165734, Boronic acid, B-[3-fluoro-4-[3-(4-morpholinyl)propoxy]phenyl]-,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	283.139g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.106g/mol
Monoisotopic Mass	283.139g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	62.2A^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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