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18014-00-1 | 1,4-Benzenedicarboxylic acid, 2,5-dibromo-, 1,4-dimethyl ester
CAS No: 18014-00-1 Catalog No: AG0021Q6 MDL No:MFCD00204592
Product Description
Catalog Number:
AG0021Q6
Chemical Name:
1,4-Benzenedicarboxylic acid, 2,5-dibromo-, 1,4-dimethyl ester
CAS Number:
18014-00-1
Molecular Formula:
C10H8Br2O4
Molecular Weight:
351.9761
MDL Number:
MFCD00204592
IUPAC Name:
dimethyl 2,5-dibromobenzene-1,4-dicarboxylate
InChI:
InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3
InChI Key:
QXAFZEQRMJNPLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1Br)C(=O)OC
EC Number:
241-919-9
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.877g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.978g/mol
Monoisotopic Mass:
349.879g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Dimethyl 2,5-bis-(5-hexyl-thio-phen-2-yl)benzene-1,4-dioate. | Acta crystallographica. Section E, Structure reports online 20110501 |
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