AG004PC6

850568-06-8 | (3-Fluoro-4-(hydrazinecarbonyl)phenyl)boronic acid

AG004PC6

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CAS Number	850568-06-8
Catalog Number	AG004PC6(AGN-PC-0KZ3RE)
Chemical Name	(3-Fluoro-4-(hydrazinecarbonyl)phenyl)boronic acid
IUPAC Name	[3-fluoro-4-(hydrazinecarbonyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFN2O3/c9-6-3-4(8(13)14)1-2-5(6)7(12)11-10/h1-3,13-14H,10H2,(H,11,12)
InChI Key	HKIPNGLGNVCWCT-UHFFFAOYSA-N
MDL Number	MFCD04973743
Molecular Formula	C7H8BFN2O3
Molecular Weight	197.9594
SMILES	NNC(=O)C1=C(F)C=C(C=C1)B(O)O
Synonyms	850568-06-8, 3-Fluoro-4-hydrazinocarbonylphenylboronic acid, (3-Fluoro-4-(hydrazinecarbonyl)phenyl)boronic acid, [3-fluoro-4-(hydrazinecarbonyl)phenyl]boronic Acid, 3-Fluoro-4-(hydrazinocarbonyl)benzeneboronic acid, 3-fluoro-4-hydrazinocarbonylphenylboronic acis, 3-fluoro-4-(hydrazinecarbonyl)phenylboronic acid, AC1MW5UC, ACMC-209q16, SCHEMBL16096308, CTK3E7689, DTXSID00395468, ZX-AP005151, ANW-38008, FCH919675, MFCD04973743, PC1663, SBB092233, AKOS006222477, ZINC169745117, AB21416, AN-27021, BC001939, AX8045129, TR-026471, ST24034384, X2400, B-5669, (3-fluoro-4-hydrazinocarbonyl)benzeneboronic acid, 568F068, A841104, [4-(aminocarbamoyl)-3-fluoranyl-phenyl]boronic acid, 3-fluoro-4-(hydrazinocarbonyl)benzeneboronicacid96%, 3-fluoro-4-(hydrazinocarbonyl)benzeneboronic acid 96%, (3-FLUORO-4-HYDRAZINOCARBONYL)BENZENEBORONICACID, C7H8BFN2O3, ACN-042738, CID3718908, 3-Fluoro-4-hydrazinocarbonylphenylboronicacid, (3-Fluoro-4-(hydrazinecarbonyl)phenyl)boronicacid,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.061g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	197.96g/mol
Monoisotopic Mass	198.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	95.6A^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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