AG008LCR

79784-34-2 | 3,4-Difluorophenylglyoxal hydrate

AG008LCR

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CAS Number	79784-34-2
Catalog Number	AG008LCR(AGN-PC-0KL1K8)
Chemical Name	3,4-Difluorophenylglyoxal hydrate
IUPAC Name	2-(3,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
InChI	InChI=1S/C8H4F2O2.H2O/c9-6-2-1-5(3-7(6)10)8(12)4-11;/h1-4H;1H2
InChI Key	FFYIMFMDGMXVOF-UHFFFAOYSA-N
MDL Number	MFCD03453081
Molecular Formula	C8H4F2O2
Molecular Weight	170.1130
SMILES	FC=1C=C(C=CC1F)C(C=O)=O
Synonyms	3,4-DIFLUOROPHENYLGLYOXAL HYDRATE, 79784-34-2, 2-(3,4-difluorophenyl)-2-oxoacetaldehyde hydrate, MFCD03453081, AK-10019, PubChem12210, AC1MD1Z8, SCHEMBL3522042, CTK5E7117, KS-00000NDC, FFYIMFMDGMXVOF-UHFFFAOYSA-N, ZX-AP006484, ANW-51568, PC7861, SBB090693, AKOS005254912, AB15499, COR0002369, GS-3531, 3,4-DIFLUOROPHENYLGLYOXALHYDRATE, Benzeneacetaldehyde,3,4-difluoro-a-oxo-, BR-10019, AB0026769, AX8081876, ST2410259, TC-140313, 4CH-015404, AM20060951, FT-0677413, W8512, 2-(3,4-difluorophenyl)-2-oxoethanal, hydrate, C-6348, I14-30613, C8H4F2O2, C8H6F2O3, C8-H4-F2-O2, CID2782289, BRN 2574671, 3,4-Difluoro-alpha-oxobenzeneacetaldehyde, Benzeneacetaldehyde, 3,4-difluoro-alpha-oxo-, 2-(3,4-difluorophenyl)-2-oxo-acetaldehyde Hydrate,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.029g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.13g/mol
Monoisotopic Mass	188.029g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.1A^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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