AG000CW1

116631-94-8 | 2-Butenedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2E)-

AG000CW1

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CAS Number	116631-94-8
Catalog Number	AG000CW1(AGN-PC-0NZ1X4)
Chemical Name	2-Butenedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2E)-
IUPAC Name	dimethyl (E)-2,3-dibromobut-2-enedioate
InChI	InChI=1S/C6H6Br2O4/c1-11-5(9)3(7)4(8)6(10)12-2/h1-2H3/b4-3+
InChI Key	XMUOGQHVYZDUCF-ONEGZZNKSA-N
MDL Number	MFCD18976099
Molecular Formula	C6H6Br2O4
Molecular Weight	301.9174
SMILES	O=C(OC)/C(Br)=C(Br)/C(OC)=O
Synonyms	Dimethyl trans-2,3-Dibromobutenedioate, 116631-94-8, Dimethyl 2,3-Dibromofumarate, Dimethyl dibromo-2-butenedioate, SCHEMBL1054440, SCHEMBL1054996, NIOSH/EM5860000, MFCD18976099, TL 124, ZINC38228891, Maleic acid, dibromo-, dimethyl ester, 2,3-Dibromofumaric Acid Dimethyl Ester, D4073, EM58600000, 2-Butenedioic acid, dibromo-, dimethyl ester, 2,3-Dibromo-2-butenedioic acid dimethyl ester, trans-2,3-Dibromobutenedioic Acid Dimethyl Ester, (E)-2,3-Dibromo-2-butenedioic acid dimethyl ester, CID11087957, Dimethyl (E)-2,3-dibromobut-2-enedioate,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	301.861g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	301.918g/mol
Monoisotopic Mass	299.863g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number