AG003BST

63909-50-2 | Diethyl 3-methylbenzylphosphonate

AG003BST

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CAS Number	63909-50-2
Catalog Number	AG003BST(AGN-PC-0NBKQX)
Chemical Name	Diethyl 3-methylbenzylphosphonate
IUPAC Name	1-(diethoxyphosphorylmethyl)-3-methylbenzene
InChI	InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-8-6-7-11(3)9-12/h6-9H,4-5,10H2,1-3H3
InChI Key	LMLREDDVMFNSMK-UHFFFAOYSA-N
MDL Number	MFCD08276364
Molecular Formula	C12H19O3P
Molecular Weight	242.2512
SMILES	CC1=CC(CP(OCC)(OCC)=O)=CC=C1
Synonyms	63909-50-2, Diethyl (3-Methylbenzyl)phosphonate, diethyl 3-methylbenzylphosphonate, Diethyl(3-methylbenzyl)phosphonate, (3-Methylbenzyl)phosphonic Acid Diethyl Ester, Phosphonic acid, [(3-methylphenyl)methyl]-, diethyl ester, ACMC-1B59Z, SCHEMBL1831290, CTK2A7981, 3-(Diethylphosphonomethyl)toluene, DTXSID60445776, ANW-34769, MFCD08276364, ZINC34522266, AKOS015842111, VZ31765, KS-000013T5, CC-26590, 3-Methylbenzylphosphonic acid diethyl ester, DB-054576, diethyl [(3-methylphenyl)methyl]phosphonate, TR-021958, 1-(diethoxyphosphorylmethyl)-3-methylbenzene, D3328, FT-0640910, C-14582, I14-93555, PHOSPHONICACIDDIETHYLESTER, CID10847732, 1-(diethoxyphosphorylmethyl)-3-methyl-benzene,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.107g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.255g/mol
Monoisotopic Mass	242.107g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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