AG004J9P

874219-32-6 | 4-FLUORO-3-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID

AG004J9P

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CAS Number	874219-32-6
Catalog Number	AG004J9P(AGN-PC-0VDGIU)
Chemical Name	4-FLUORO-3-(N-PROPYLCARBAMOYL)BENZENEBORONIC ACID
IUPAC Name	[4-fluoro-3-(propylcarbamoyl)phenyl]boronic acid
InChI	InChI=1S/C10H13BFNO3/c1-2-5-13-10(14)8-6-7(11(15)16)3-4-9(8)12/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
InChI Key	GFXXWQFBQBTTAV-UHFFFAOYSA-N
MDL Number	MFCD08235051
Molecular Formula	C10H13BFNO3
Molecular Weight	225.0245
SMILES	CCCNC(=O)C1=C(F)C=CC(=C1)B(O)O
Synonyms	874219-32-6, (4-Fluoro-3-(propylcarbamoyl)phenyl)boronic acid, 4-Fluoro-3-(n-propylcarbamoyl)phenylboronic acid, 4-Fluoro-3-(propylcarbamoyl)benzeneboronic acid, [4-fluoro-3-(propylcarbamoyl)phenyl]boronic acid, Boronic acid,B-[4-fluoro-3-[(propylamino)carbonyl]phenyl]-, 4-Fluoro-3-(Propylcarbamoyl)Benzeneboronicacid98%, ACMC-209qkx, CTK5F8364, DTXSID90660218, ZX-AP006872, ANW-38719, MFCD08235051, PC4988, SBB096763, AKOS015853335, ZINC169745543, RTR-027375, BC001876, AX8218079, TR-027375, ST24034691, X1432, 4-fluoro-3-(propylcarbamoyl)phenylboronic acid, B-4062, A842149, [4-fluoranyl-3-(propylcarbamoyl)phenyl]boronic acid, I04-2761, [4-fluoro-3-[oxo(propylamino)methyl]phenyl]boronic acid, C10H13BFNO3, 4-FLUORO-3- BENZENEBORONICACID, ACN-042762, 4-Fluoro-3-(n-propylcarbamoyl)benzeneboronic acid, (4-Fluoro-3-(propylcarbamoyl)phenyl)boronicacid, 4-Fluoro-3-(n-propylaminocarbonyl)phenylboronic acid,

Complexity	240
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	4
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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