AG00DEHD

447-43-8 | 4-Fluorophenylglyoxal hydrate

AG00DEHD

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CAS Number	447-43-8
Catalog Number	AG00DEHD(AGN-PC-005SL8)
Chemical Name	4-Fluorophenylglyoxal hydrate
IUPAC Name	2-(4-fluorophenyl)-2-oxoacetaldehyde;hydrate
InChI	InChI=1S/C8H5FO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2
InChI Key	JZJXSEZCPBRRLU-UHFFFAOYSA-N
MDL Number	MFCD01733156
Molecular Formula	C8H7FO3
Molecular Weight	170.1378
SMILES	OC(O)C(C1=CC=C(F)C=C1)=O
Synonyms	4-fluorophenylglyoxal hydrate, 447-43-8, 2-(4-fluorophenyl)-2-oxoacetaldehyde hydrate, 4-Fluorophenyl glyoxal hydrate, 7468-86-2, 4-fluorophenylglyoxal monohydrate, MFCD01320770, PubChem12088, 2-(4-fluorophenyl)-2-oxo-acetaldehyde Hydrate, AC1MC7D1, SCHEMBL1360217, 4-Fluorophenylglyoxal 1-hydrate, CTK4I2889, DTXSID50372087, JZJXSEZCPBRRLU-UHFFFAOYSA-N, ZX-AP002218, Benzeneacetaldehyde,4-fluoro-a-oxo-, ACM403327, ACM447438, ANW-51105, PC5633, SBB088374, AKOS005254811, AB09010, COR0002903, FS-4139, (4-Fluorophenyl)(oxo)acetaldehyde hydrate, AK-10004, BR-10004, 2-(4-fluorophenyl)-2-oxoethanal, hydrate, AB0024974, AX8097381, ST2416113, TR-017163, AM20060905, FT-0676287, W6347, C-5889, 107056-EP2298744A2, A826674, 2-(4-fluorophenyl)-2-oxidanylidene-ethanal hydrate, I14-30615, C8H7FO3, CID2737470, 403-32-7,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	170.139g/mol
Monoisotopic Mass	170.038g/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	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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