Cas no 877624-37-8 (Benzoic acid, 4-bromo-3-(dibromomethyl)-, methyl ester)
877624-37-8 structure
Product Name:Benzoic acid, 4-bromo-3-(dibromomethyl)-, methyl ester
CAS No:877624-37-8
MF:C9H7Br3O2
MW:386.862680673599
CID:1912284
PubChem ID:69315682
Update Time:2025-04-21
Benzoic acid, 4-bromo-3-(dibromomethyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-bromo-3-(dibromomethyl)-, methyl ester
- methyl 4-bromo-3-(dibromomethyl)benzoate
- SCHEMBL5112106
- DB-343365
- 877624-37-8
-
- Inchi： 1S/C9H7Br3O2/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4,8H,1H3
- InChI Key： DSKIZIITNIWKOS-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(=O)OC)C=C1C(Br)Br
Computed Properties
- Exact Mass: 385.79757Da
- Monoisotopic Mass: 383.79962Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 3.9
- Topological Polar Surface Area: 26.3?2
Benzoic acid, 4-bromo-3-(dibromomethyl)-, methyl ester Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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