AG006B2K

944328-72-7 | 4,4-difluorobutanoic acid

AG006B2K

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CAS Number	944328-72-7
Catalog Number	AG006B2K(AGN-PC-03652B)
Chemical Name	4,4-difluorobutanoic acid
IUPAC Name	4,4-difluorobutanoic acid
InChI	InChI=1S/C4H6F2O2/c5-3(6)1-2-4(7)8/h3H,1-2H2,(H,7,8)
InChI Key	KATHHSJRHUEROK-UHFFFAOYSA-N
MDL Number	MFCD11110319
Molecular Formula	C4H6F2O2
Molecular Weight	124.0860
SMILES	O=C(O)CCC(F)F
Synonyms	4,4-DIFLUOROBUTANOIC ACID, 944328-72-7, SCHEMBL1032360, CTK5H6571, DTXSID40610889, MFCD11110319, ZINC39325990, AKOS006309554, NE31513, BS-12960, F8880-4978,

Complexity	82.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	124.034g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	124.087g/mol
Monoisotopic Mass	124.034g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227-H314
Packing Group	Ⅲ
Precautionary statements	P210-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P235-P405-P501
UN Code	UN 3265

Certificate of Analysis

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