7-fluoro-4-methylquinolin-8-amine
- Iupac Name：7-fluoro-4-methylquinolin-8-amine
- CAS No.: 1420791-60-1
- Molecular Weight：176.194g/mol
- Modify Date.: 2018-07-03 15:10
1. Names and Identifiers
- 1.1 Name
- 7-fluoro-4-methylquinolin-8-amine
- 1.2 Synonyms
AK532870AKOS027454753
- 1.3 CAS No.
- 1420791-60-1
- 1.4 CID
- 97036670
- 1.5 Molecular Formula
- C10H9FN2 (isomer)
- 1.6 Inchi
- InChI=1S/C10H9FN2/c1-6-4-5-13-10-7(6)2-3-8(11)9(10)12/h2-5H,12H2,1H3
- 1.7 InChIkey
- QYPWZYJWDCLTTB-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CC1=C2C=CC(=C(C2=NC=C1)N)F
- 1.9 Isomers Smiles
- CC1=C2C=CC(=C(C2=NC=C1)N)F
2. Computational chemical data
- Molecular Weight: 176.194g/molg/mol
- Molecular Formula: C10H9FN2
- Compound Is Canonicalized: True
- XLogP3-AA: 2
- Exact Mass: 176.07497646
- Monoisotopic Mass: 176.07497646
- Complexity: 186
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 38.9
- Heavy Atom Count: 13
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBzAQAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHQAQAAAADAjBHgw+wPJIEACgAzRnRACCgCAxEiAI2CA4dJgIYOLAkZGUIAhggADIyAcQgMAOgAAAQAACACAAAACAAAQAQAAAAAAAAA==
4. Realated Product Infomation
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