AG000O0F

1256345-50-2 | Boronic acid, B-[5-(1-cyanocyclopropyl)-2-fluorophenyl]-

AG000O0F

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CAS Number	1256345-50-2
Catalog Number	AG000O0F(AGN-PC-09PYWA)
Chemical Name	Boronic acid, B-[5-(1-cyanocyclopropyl)-2-fluorophenyl]-
IUPAC Name	[5-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid
InChI	InChI=1S/C10H9BFNO2/c12-9-2-1-7(5-8(9)11(14)15)10(6-13)3-4-10/h1-2,5,14-15H,3-4H2
InChI Key	JKWXKJVCALEGGN-UHFFFAOYSA-N
MDL Number	MFCD17926483
Molecular Formula	C10H9BFNO2
Molecular Weight	204.9934
SMILES	OB(O)C1=C(F)C=CC(=C1)C1(CC1)C#N
Synonyms	1256345-50-2, 5-(1-CYANOCYCLOPROPYL)-2-FLUOROPHENYLBORONIC ACID, (5-(1-Cyanocyclopropyl)-2-fluorophenyl)boronic acid, [5-(1-cyanocyclopropyl)-2-fluorophenyl]boronic acid, ACMC-209av6, SCHEMBL2557840, CTK4B4470, DTXSID70681522, ANW-18352, MFCD17926483, AKOS015836103, ZINC169933808, PC412203, AX8238703, TR-035128, X1800, B-2929, I04-1841, Boronic acid, B-[5-(1-cyanocyclopropyl)-2-fluorophenyl]-, C10H9BFNO2, (5-(1-Cyanocyclopropyl)-2-fluorophenyl)boronicacid,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.995g/mol
Monoisotopic Mass	205.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	64.2A^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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