AG00902E

1008119-70-7 | 3-Fluoro-4-[(morpholin-4-yl)carbonyl]phenylboronic Acid

AG00902E

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CAS Number	1008119-70-7
Catalog Number	AG00902E(AGN-PC-0WNNY4)
Chemical Name	3-Fluoro-4-[(morpholin-4-yl)carbonyl]phenylboronic Acid
IUPAC Name	[3-fluoro-4-(morpholine-4-carbonyl)phenyl]boronic acid
InChI	InChI=1S/C11H13BFNO4/c13-10-7-8(12(16)17)1-2-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2
InChI Key	PCOQCLUJTVPMSY-UHFFFAOYSA-N
MDL Number	MFCD20265298
Molecular Formula	C11H13BFNO4
Molecular Weight	253.0346
SMILES	OB(C1=CC=C(C(N2CCOCC2)=O)C(F)=C1)O
Synonyms	1008119-70-7, 3-fluoro-4-(morpholine-4-carbonyl)phenylboronic acid, (3-fluoro-4-(morpholine-4-carbonyl)phenyl)boronic acid, 3-Fluoro-4-(4-morpholinylcarbonyl)phenylboronic acid, MFCD20265298, 3-Fluoro-4-[(morpholin-4-yl)carbonyl]phenylboronic acid, 3-Fluoro-4-(4-morpholinylcarbonyl)benzeneboronic acid, [3-fluoro-4-(morpholine-4-carbonyl)phenyl]boronic acid, SCHEMBL951604, PCOQCLUJTVPMSY-UHFFFAOYSA-N, AKOS025286674, ZINC169744304, AM86205, AS-55297, PC412459, (3-Fluoro-4-(morpholine-4-carbonyl)phenyl) boronic acid, 3-Fluoro-4-(4-Morpholinylcarbonyl)benzeneboronic acid, 97%,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.092g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	253.036g/mol
Monoisotopic Mass	253.092g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	70A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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