Cas no 18863-72-4 (1,2-Benzenediol, 4-bromo-5-methyl- (9CI))
18863-72-4 structure
Product Name:1,2-Benzenediol, 4-bromo-5-methyl- (9CI)
CAS No:18863-72-4
MF:C7H7BrO2
MW:203.033281564713
CID:123215
PubChem ID:11401443
Update Time:2025-04-18
1,2-Benzenediol, 4-bromo-5-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 4-bromo-5-methyl- (9CI)
- 1,2-Benzenediol,4-bromo-5-methyl-
- 4-Bromo-5-methyl-1,2-benzenediol
- 2-Brom-3.5-dihydroxy-toluol
- 2-Brom-orcin
- 4-Brom-5-methyl-brenzcatechin
- 4-Brom-5-methyl-resorcin
- 4-bromo-5-methyl-1,3-benzenediol
- 4-bromo-5-methylbenzene-1,2-diol
- 4-bromo-5-methylcatechol
- 4-bromo-5-methylpyrocatechol
- 4-bromo-5-methyl-pyrocatechol
- 4-bromo-5-methylresorcinol
- 4-bromo-5-methyl-resorcinol
- AC1MHZD6
- AG-F-17879
- AM803738
- BRN 2518325
- CTK1C4281
- LS-143386
- Resorcinol, 4-bromo-5-methyl-
- 18863-72-4
- SCHEMBL68996
- CS-0498425
- UJOPSAXOAYKHTR-UHFFFAOYSA-N
- 1,2-Benzenediol, 4-broMo-5-Methyl-
-
- Inchi： 1S/C7H7BrO2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,9-10H,1H3
- InChI Key： UJOPSAXOAYKHTR-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1C)O)O
Computed Properties
- Exact Mass: 201.96291
- Monoisotopic Mass: 201.96294g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 118
- 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: 2.3
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
1,2-Benzenediol, 4-bromo-5-methyl- (9CI) Related Literature
-
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
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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