AG004J9Q

874219-21-3 | (4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronic acid

AG004J9Q

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CAS Number	874219-21-3
Catalog Number	AG004J9Q(AGN-PC-0786JW)
Chemical Name	(4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronic acid
IUPAC Name	[4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)8-5-7(11(15)16)3-4-9(8)12/h3-6,15-16H,1-2H3,(H,13,14)
InChI Key	KPQHVEASBVESSL-UHFFFAOYSA-N
MDL Number	MFCD08235040
Molecular Formula	C10H13BFNO3
Molecular Weight	225.0245
SMILES	CC(C)NC(=O)C1=C(F)C=CC(=C1)B(O)O
Synonyms	874219-21-3, 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid, (4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronic acid, 4-Fluoro-3-(isopropylcarbamoyl)benzeneboronic acid, MFCD08235040, 4-Fluoro-3-(isopropylaminocarbonyl)phenylboronic acid, {4-Fluoro-3-[(propan-2-yl)carbamoyl]phenyl}boronic acid, ACMC-209qkm, SCHEMBL4063989, CTK5F8354, DTXSID50660234, ANW-38708, SBB096762, AKOS015853316, ZINC169745047, PS-9598, RTR-027364, BC001879, TR-027364, ST24034685, X1425, 4-Fluoro-3-sopropylcarbamoyl)phenylboronic acid, B-5770, N-ISOPROPYL 5-BORONO-2-FLUOROBENZAMIDE, A842138, I04-2758, (4-Fluoro-3-(isopropylcarbamoyl)-phenyl)boronic acid, 3-(ISOPROPYLCARBAMOYL)-4-FLUOROPHENYLBORONIC ACID, [4-fluoranyl-3-(propan-2-ylcarbamoyl)phenyl]boronic acid, [4-fluoro-3-[oxo-(propan-2-ylamino)methyl]phenyl]boronic acid, Boronic acid,B-[4-fluoro-3-[[(1-methylethyl)amino]carbonyl]phenyl]-, C10H13BFNO3, ACN-042742, (4-Fluoro-3-(isopropylcarbamoyl)phenyl)boronicacid, [4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.097g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	225.026g/mol
Monoisotopic Mass	225.097g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

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