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116631-94-8 | 2-Butenedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2E)-
CAS No: 116631-94-8 Catalog No: AG000CW1 MDL No:MFCD18976099
Product Description
Catalog Number:
AG000CW1
Chemical Name:
2-Butenedioic acid, 2,3-dibromo-, 1,4-dimethyl ester, (2E)-
CAS Number:
116631-94-8
Molecular Formula:
C6H6Br2O4
Molecular Weight:
301.9174
MDL Number:
MFCD18976099
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
SMILES:
COC(=O)/C(=C(/C(=O)OC)\Br)/Br
Properties
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
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