AG00DEDS

53458-16-5 | 4,4'-DIFLUOROBENZOIN

AG00DEDS

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CAS Number	53458-16-5
Catalog Number	AG00DEDS(AGN-PC-00EP42)
Chemical Name	4,4'-DIFLUOROBENZOIN
EC Number	258-565-6
IUPAC Name	1,2-bis(4-fluorophenyl)-2-hydroxyethanone
InChI	InChI=1S/C14H10F2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13,17H
InChI Key	VGZHWXAFILGMSR-UHFFFAOYSA-N
MDL Number	MFCD00055470
Molecular Formula	C14H10F2O2
Molecular Weight	248.2248
SMILES	OC(C1=CC=C(F)C=C1)C(C2=CC=C(F)C=C2)=O
Synonyms	1,2-bis(4-fluorophenyl)-2-hydroxyethanone, 4,4'-difluorobenzoin, 53458-16-5, CHEMBL244213, EINECS 258-565-6, AC1L2VHE, AC1Q4NNE, 1,2-Bis(4-fluorophenyl)-2-hydroxyethan-1-one, SCHEMBL5444935, CTK4J8069, VGZHWXAFILGMSR-UHFFFAOYSA-N, BDBM50209409, MFCD00055470, AKOS030573915, DS-3376, AK608924, 2-hydroxy-1,2-bis(4-fluorophenyl)ethanone, AX8092145, 1,2 Bis(4-fluorophenyl)-2-hydroxy ethanone, Ethanone,1,2-bis(4-fluorophenyl)-2-hydroxy-, 1,2-bis-(4-fluorophenyl)-2-hydroxyethan-1-one, C14H10F2O2, KST-1B5243, AR-1B5594, CID103786, C14-H10-F2-O2, 5434-92-4,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.065g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	248.229g/mol
Monoisotopic Mass	248.065g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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