Cas no 80547-63-3 (Benzoic acid, 3-chloro-5-hydroxy-4-methoxy-)
80547-63-3 structure
Product Name:Benzoic acid, 3-chloro-5-hydroxy-4-methoxy-
CAS No:80547-63-3
MF:C8H7ClO4
MW:202.59178185463
CID:705452
PubChem ID:12928009
Update Time:2025-04-19
Benzoic acid, 3-chloro-5-hydroxy-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-chloro-5-hydroxy-4-methoxy-
- 3-chloro-5-hydroxy-4-methoxybenzoic acid
- CHEMBL327180
- DTXSID50513190
- 80547-63-3
- BDBM50405319
-
- Inchi： 1S/C8H7ClO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
- InChI Key： UTTKPVKSRXQTLM-UHFFFAOYSA-N
- SMILES： ClC1=CC(C(=O)O)=CC(=C1OC)O
Computed Properties
- Exact Mass: 202.0032864g/mol
- Monoisotopic Mass: 202.0032864g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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
- Topological Polar Surface Area: 66.8?2
Benzoic acid, 3-chloro-5-hydroxy-4-methoxy- Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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