Cas no 245549-92-2 (Benzoic acid,2,5-dibromo-4-methyl-, methyl ester)
245549-92-2 structure
Product Name:Benzoic acid,2,5-dibromo-4-methyl-, methyl ester
CAS No:245549-92-2
MF:C9H8Br2O2
MW:307.966621398926
CID:245966
PubChem ID:26338328
Update Time:2025-04-19
Benzoic acid,2,5-dibromo-4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,5-dibromo-4-methyl-, methyl ester
- methyl 2,5-dibromo-4-methylbenzoate
- 2,5-DIBROMO-4-METHYLBENZOIC ACID METHYL ESTER
- BITCLLVCMAMAMA-UHFFFAOYSA-N
- 2,5-Dibromo-4-methylbenzoicacidmethylester
- methyl 2, 5-dibromo-4-methylbenzoate
- E10200
- DTXSID80649911
- methyl2,5-dibromo-4-methylbenzoate
- 245549-92-2
- FT-0747500
- SCHEMBL2538919
- AKOS027379539
-
- Inchi： 1S/C9H8Br2O2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3
- InChI Key： BITCLLVCMAMAMA-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)OC)C(=CC=1C)Br
Computed Properties
- Exact Mass: 305.88900
- Monoisotopic Mass: 305.88910g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 196
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 3.30660
Benzoic acid,2,5-dibromo-4-methyl-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Crysdot LLC | CD12092239-10g |
Methyl 2,5-dibromo-4-methylbenzoate |
245549-92-2 | 97% | 10g |
$506 | 2024-07-24 | |
| Crysdot LLC | CD12092239-25g |
Methyl 2,5-dibromo-4-methylbenzoate |
245549-92-2 | 97% | 25g |
$844 | 2024-07-24 |
Benzoic acid,2,5-dibromo-4-methyl-, methyl ester Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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