AG00EB3B

63812-15-7 | 2-Fluoroisobutyric acid

AG00EB3B

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CAS Number	63812-15-7
Catalog Number	AG00EB3B(AGN-PC-079PBP)
Chemical Name	2-Fluoroisobutyric acid
IUPAC Name	2-fluoro-2-methylpropanoic acid
InChI	InChI=1S/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChI Key	NZDOWZQRNZLBOY-UHFFFAOYSA-N
MDL Number	MFCD03452788
Molecular Formula	C4H7FO2
Molecular Weight	106.0956
SMILES	OC(=O)C(F)(C)C
Synonyms	2-Fluoroisobutyric acid, 63812-15-7, 2-fluoro-2-methylpropanoic acid, 2-fluoro-2-methylpropionic acid, 2-fluoroisobutanoic acid, MFCD03452788, 2-fluoro-2-methyl-propanoic Acid, fluoroisobutyric acid, ACMC-1B6KG, AC1MD36M, C4H7FO2, SCHEMBL134556, 2-methyl-2-fluoropropionic acid, CTK2F2603, DTXSID70382325, 2-fluoro-2-methyl-propionic acid, NZDOWZQRNZLBOY-UHFFFAOYSA-N, ZINC4255919, 2-fluoranyl-2-methyl-propanoic acid, 7217AE, BBL102572, Propanoic acid, 2-fluoro-2-methyl-, STL556375, AKOS005063420, MCULE-9323110637, AS-42129, SC-70278, AB0065040, DB-001228, TR-021933, CS-0022383, FT-0676580, J3.546.462J, Y-9570, A834533, 3S110987, 3S210922, I04-1199, Z1741961262, CID2782828, 2-Fluoroisobutyric acid, 95% - 1G 1g,

Complexity	87.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	106.043g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	106.096g/mol
Monoisotopic Mass	106.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H300-H310-H314-H318-H330
Packing Group	Ⅱ
Precautionary statements	P260-P280-P301+P310-P303+P361+P353-P305+P351+P338-P310
UN Code	UN 2922

Certificate of Analysis

Lot Number