AG00399H

889944-72-3 | 2,4,6-Trichloro-5-pyrimidineacetic acid ethyl ester

AG00399H

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CAS Number	889944-72-3
Catalog Number	AG00399H(AGN-PC-059JDF)
Chemical Name	2,4,6-Trichloro-5-pyrimidineacetic acid ethyl ester
IUPAC Name	ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate
InChI	InChI=1S/C8H7Cl3N2O2/c1-2-15-5(14)3-4-6(9)12-8(11)13-7(4)10/h2-3H2,1H3
InChI Key	BBZKVKDEGXYGDA-UHFFFAOYSA-N
MDL Number	MFCD07776806
Molecular Formula	C8H7Cl3N2O2
Molecular Weight	269.5124
SMILES	C(C)OC(CC=1C(=NC(=NC1Cl)Cl)Cl)=O
Synonyms	Ethyl 2-(2,4,6-trichloropyrimidin-5-yl)acetate, 889944-72-3, (2,4,6-Trichloro-pyrimidin-5-yl)-acetic acid ethyl ester, AK-79614, Ethyl (2,4,6-trichloropyrimidin-5-yl)acetate, SCHEMBL1748473, CTK6F8430, KS-00000QHG, DTXSID30650754, BBZKVKDEGXYGDA-UHFFFAOYSA-N, BCP24375, 4679AC, ANW-60121, BBL103005, MFCD07776806, STL556814, ZINC16844470, AKOS015892499, CS-W006485, QC-9229, VZ32017, AJ-69567, DA-17760, DS-17715, SC-87972, AX8236929, TC-148866, FT-0689960, ST24046778, T50013, Ethyl 2-(2,4,6-Trichloro-5-pyrimidinyl)acetate, I03-0574, (2,4,6-Trichloro-pyrimidin-5-yl)-acetic acid ethyl, 2,4,6-Trichloro-5-pyrimidineacetic acid ethyl ester, (2,4,6-TrichloropyriMidin-5-yl)acetic acid ethyl ester, C8H7Cl3N2O2,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.957g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.506g/mol
Monoisotopic Mass	267.957g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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