Cas no 16667-01-9 (2-Naphthalenol,6-bromo-1-methyl-)
16667-01-9 structure
Product Name:2-Naphthalenol,6-bromo-1-methyl-
CAS No:16667-01-9
MF:C11H9BrO
MW:237.092562437057
CID:160771
PubChem ID:27977
Update Time:2025-04-19
2-Naphthalenol,6-bromo-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenol,6-bromo-1-methyl-
- 6-bromo-1-methylnaphthalen-2-ol
- 6-Bromo-1-methyl-2-naphthol
- 16667-01-9
- DTXSID20168151
- 2-NAPHTHOL, 6-BROMO-1-METHYL-
- YNZVWWALVATSDE-UHFFFAOYSA-N
- BRN 3243936
- 3-06-00-03020 (Beilstein Handbook Reference)
- SCHEMBL5343236
- 1-Methyl-6-bromo-2-naphthol
-
- Inchi： 1S/C11H9BrO/c1-7-10-4-3-9(12)6-8(10)2-5-11(7)13/h2-6,13H,1H3
- InChI Key： YNZVWWALVATSDE-UHFFFAOYSA-N
- SMILES： BrC1C=CC2=C(C)C(=CC=C2C=1)O
Computed Properties
- Exact Mass: 235.98367
- Monoisotopic Mass: 235.98368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 20.2?2
Experimental Properties
- PSA: 20.23
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