AG000YF6

128833-03-4 | Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester

AG000YF6

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CAS Number	128833-03-4
Catalog Number	AG000YF6(AGN-PC-0NDV2Z)
Chemical Name	Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester
IUPAC Name	1-bromo-3-(diethoxyphosphorylmethyl)benzene
InChI	InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-6-5-7-11(12)8-10/h5-8H,3-4,9H2,1-2H3
InChI Key	KVNNRCDDRDXWIW-UHFFFAOYSA-N
MDL Number	MFCD07772009
Molecular Formula	C11H16BrO3P
Molecular Weight	307.1207
SMILES	O=P(CC1=CC=CC(Br)=C1)(OCC)OCC
Synonyms	Diethyl 3-Bromobenzylphosphonate, 128833-03-4, Diethyl (3-bromobenzyl)phosphonate, Phosphonic acid, P-[(3-bromophenyl)methyl]-, diethyl ester, 1-bromo-3-(diethoxyphosphorylmethyl)benzene, C11H16BrO3P, Diethyl m-bromobenzylphosphonate, SCHEMBL1307260, KVNNRCDDRDXWIW-UHFFFAOYSA-N, 6593AJ, MFCD07772009, ZINC86036917, AKOS005068247, Diethyl 3-bromobenzylphosphonate, 97%, Diethyl[(3-bromophenyl)methyl]phosphonate, SY021229, diethyl [(3-bromophenyl)methyl]phosphonate, TC-308105, MFCD07772009 (95%), 833D034, [(3-Bromophenyl)methyl]phosphonic acid diethyl ester, CID10979718, 928-55-2,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	306.002g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.124g/mol
Monoisotopic Mass	306.002g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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