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137553-48-1 | 4-Quinazolinamine, 5-fluoro-
CAS No: 137553-48-1 Catalog No: AG0013JN MDL No:MFCD00153064
Product Description
Catalog Number:
AG0013JN
Chemical Name:
4-Quinazolinamine, 5-fluoro-
CAS Number:
137553-48-1
Molecular Formula:
C8H6FN3
Molecular Weight:
163.1517
MDL Number:
MFCD00153064
IUPAC Name:
5-fluoroquinazolin-4-amine
InChI:
InChI=1S/C8H6FN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12)
InChI Key:
KKLLTCMELJRTDI-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1c(N)ncn2
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.055g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.155g/mol
Monoisotopic Mass:
163.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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