Cas no 53490-47-4 (Hexanedioicacid, 2,5-dibromo-, dimethyl ester, (2R,5S)-rel-)
53490-47-4 structure
Product Name:Hexanedioicacid, 2,5-dibromo-, dimethyl ester, (2R,5S)-rel-
CAS No:53490-47-4
MF:C8H12Br2O4
MW:331.986481666565
CID:387019
PubChem ID:136669
Update Time:2025-04-19
Hexanedioicacid, 2,5-dibromo-, dimethyl ester, (2R,5S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioicacid, 2,5-dibromo-, dimethyl ester, (2R,5S)-rel-
- 2,5-dibromo-adipic acid dimethyl ester
- dimethyl 2,5-dibromoadipate
- dimethyl 2,5-dibromoadipinate
- Dimethyl2,5-Dibromohexanedioate
- meso-dimethyl 2,5-dibromohexane-1,6-dioate
- Nsc134297
- DTXSID30968220
- Dimethyl 2,2'-dibromoadipate
- Dimethyl 2,5-dibromohexanedioate #
- 53490-47-4
- CS-W005735
- HVICCJCVLLCDFQ-UHFFFAOYSA-N
- Dimethyl 2,5-dibromohexanedioate
- NSC120723
- EN300-94968
- Hexanedioic acid, 2,5-dibromo-, dimethyl ester
- dimethyl 2,5-dibromo hexanedioate
- AM804440
- AS-18580
- F2196-0016
- Dimethyl-2,5-Dibromoadipate
- AKOS016842491
- FT-0625054
- SCHEMBL1415237
- 1,6-dimethyl 2,5-dibromohexanedioate
- MFCD00043758
- DIMETHYL2,2'-DIBROMOADIPATE
- AKOS000280745
- NSC-120723
- NSC-134297
- SY046835
- C8H12Br2O4
- 868-72-4
- NSC 134297
-
- 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
- SMILES： BrC(C(=O)OC)CCC(C(=O)OC)Br
Computed Properties
- Exact Mass: 331.90818g/mol
- Monoisotopic Mass: 329.91023g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 52.6?2
Hexanedioicacid, 2,5-dibromo-, dimethyl ester, (2R,5S)-rel- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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