AG003BNU

62778-16-9 | Diethyl 2-methylbenzylphosphonate

AG003BNU

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CAS Number	62778-16-9
Catalog Number	AG003BNU(AGN-PC-0JLIQC)
Chemical Name	Diethyl 2-methylbenzylphosphonate
IUPAC Name	1-(diethoxyphosphorylmethyl)-2-methylbenzene
InChI	InChI=1S/C12H19O3P/c1-4-14-16(13,15-5-2)10-12-9-7-6-8-11(12)3/h6-9H,4-5,10H2,1-3H3
InChI Key	SAVIMLRIKAZZCZ-UHFFFAOYSA-N
MDL Number	MFCD00015129
Molecular Formula	C12H19O3P
Molecular Weight	242.2512
SMILES	CC1=CC=CC=C1CP(OCC)(OCC)=O
Synonyms	62778-16-9, Diethyl 2-methylbenzylphosphonate, Diethyl (2-Methylbenzyl)phosphonate, diethyl(2-methylbenzyl)phosphonate, (2-Methylbenzyl)phosphonic Acid Diethyl Ester, Phosphonic acid, [(2-methylphenyl)methyl]-, diethyl ester, SAVIMLRIKAZZCZ-UHFFFAOYSA-N, 1-(diethoxyphosphorylmethyl)-2-methylbenzene, Phosphonic acid, ((2-methylphenyl)methyl)-, diethyl ester, Phosphonic acid, P-((2-methylphenyl)methyl)-, diethyl ester, Phosphonic acid, P-[(2-methylphenyl)methyl]-, diethyl ester, AC1L3CBC, ACMC-209n8a, AC1Q6ST9, SCHEMBL916350, Diethyl O-methylbenzylphosphonate, DTXSID9069639, CTK5B5981, 2-(Diethylphosphonomethyl)toluene, KS-000015VR, ZINC2560578, ZX-AT022669, ANW-34376, MFCD00015129, AKOS015842333, diethyl (2-methylphenyl)methylphosphonate, TR-021593, D3327, FT-0604640, FT-0624772, C-52461, I14-102752, Phosphonic acid,P-[(2-methylphenyl)methyl]-, diethyl ester, Phosphonic acid,p-[(2-methylphenyl)methyl]-,diethyl ester, AR-1I4881, C12-H19-O3-P, CID112945, ZINC02560578, 63833-99-8,

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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