AG0036BK

868-72-4 | Dimethyl 2,5-dibromohexanedioate

AG0036BK

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CAS Number	868-72-4
Catalog Number	AG0036BK(AGN-PC-0JMP0G)
Chemical Name	Dimethyl 2,5-dibromohexanedioate
IUPAC Name	dimethyl 2,5-dibromohexanedioate
InChI	InChI=1S/C8H12Br2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3
InChI Key	HVICCJCVLLCDFQ-UHFFFAOYSA-N
MDL Number	MFCD00043758
Molecular Formula	C8H12Br2O4
Molecular Weight	331.9865
SMILES	COC(=O)C(CCC(C(=O)OC)Br)Br
Synonyms	Dimethyl 2,5-dibromohexanedioate, 868-72-4, Dimethyl 2,2'-dibromoadipate, AK-86720, Hexanedioic acid, 2,5-dibromo-, dimethyl ester, dimethyl 2,5-dibromoadipate, Dimethyl-2,5-Dibromoadipate, AC1L390Y, SCHEMBL1415237, CTK8B4704, dimethyl 2,5-dibromo hexanedioate, HVICCJCVLLCDFQ-UHFFFAOYSA-N, DIMETHYL2,2-DIBROMOADIPATE, 53490-47-4, Dimethyl 2,5-dibromohexanedioate #, KS-00000PT7, ANW-45924, MFCD00043758, NSC120723, NSC134297, SBB008252, 1,6-dimethyl 2,5-dibromohexanedioate, 2,5-Dibromoadipic acid dimethyl ester, AKOS000280745, CS-W005735, MCULE-7272291337, NSC-120723, NSC-134297, dimethyl 2,5-dibromohexane-1,6-dioate, AM804440, AS-18580, C036, AX8227176, TC-134669, FT-0625054, ST24024736, W8917, F2196-0016, C8H12Br2O4, Dimethyl2,5-dibromohexanedioate, CID136669,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	331.908g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	331.988g/mol
Monoisotopic Mass	329.91g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	2
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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