Cas no 79665-94-4 (5-Bromo-2-methylbenzoic acid)
5-Bromo-2-methylbenzoic acid structure
Product Name:5-Bromo-2-methylbenzoic acid
CAS No:79665-94-4
MF:C8H7BrO2
MW:215.043981790543
CID:572140
PubChem ID:71664498
Update Time:2024-03-01
5-Bromo-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
-
- Cremophor GO 32
- POLYGLYCERYL-3 DIOLEATE
- 5-Bromo-2-methylbenzoic acid
- 2-Methyl-5-bromobenzoic acid
- 5-Bromo-o-toluic Acid
- 5-Bromo-2-methyl-benzoic acid
- 5-Bromo-2-methyl benzoic acid
- Benzoic acid, 5-bromo-2-methyl-
- SYNQUEST 2721-9-X8
- NSC403996
- PubChem4728
- 3-bromo-6-methylbenzoic acid
- BCP08460
- EBD12191
- SBB052620
- AS03427
- CM12537
- LS10562
-
- Inchi： 1S/C8H7BrO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key： SEENCYZQHCUTSB-UHFFFAOYSA-N
- SMILES： BrC1C=CC(C)=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 768.61153425g/mol
- Monoisotopic Mass: 768.61153425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 37.3
5-Bromo-2-methylbenzoic acid Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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