AG003QER

617-33-4 | Ethyl dibromoacetate

AG003QER

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CAS Number	617-33-4
Catalog Number	AG003QER(AGN-PC-0JL8WA)
Chemical Name	Ethyl dibromoacetate
EC Number	210-510-7
IUPAC Name	ethyl 2,2-dibromoacetate
InChI	InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChI Key	NIJGVVHCUXNSLL-UHFFFAOYSA-N
MDL Number	MFCD00041718
Molecular Formula	C4H6Br2O2
Molecular Weight	245.8972
NSC Number	8830
SMILES	O=C(OCC)C(Br)Br
Synonyms	Ethyl dibromoacetate, 617-33-4, Acetic acid, dibromo-, ethyl ester, Dibromoacetic acid, ethyl ester, Acetic acid, 2,2-dibromo-, ethyl ester, ethyl 2,2-dibromoacetate, Dibromoacetic acid ethyl ester, NIJGVVHCUXNSLL-UHFFFAOYSA-N, MFCD00041718, ethyldibromoacetate, NSC 8830, EINECS 210-510-7, Ethyl dibromo acetate, ACMC-20akxm, AC1L2BFA, SCHEMBL297369, AC1Q240J, dibromo-acetic acid ethyl ester, DTXSID7060673, CTK2F6745, NSC8830, NSC-8830, ZINC4284425, AKOS028108567, FCH1320126, TC-166801, FT-0745782, C-47318, I14-60018, Acetic acid, ethyl ester, Aceticacid,dibromo-,ethylester, C4-H6-Br2-O2, CID69237, AR-1I9707, 6295-73-4,

Complexity	82.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.871g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	245.898g/mol
Monoisotopic Mass	243.873g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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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