Home Other Building Blocks 7-fluoro-3H,4H,9H-pyrimido[4,5-b]indol-4-one

7-fluoro-3H,4H,9H-pyrimido[4,5-b]indol-4-one

CAS No.:
1909309-01-8
Catalog Number:
AG01C3B8
Molecular Formula:
C10H6FN3O
Molecular Weight:
203.1725
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Product Description
Catalog Number:
AG01C3B8
Chemical Name:
7-fluoro-3H,4H,9H-pyrimido[4,5-b]indol-4-one
CAS Number:
1909309-01-8
Molecular Formula:
C10H6FN3O
Molecular Weight:
203.1725
MDL Number:
MFCD29060394
IUPAC Name:
7-fluoro-3,9-dihydropyrimido[4,5-b]indol-4-one
InChI:
InChI=1S/C10H6FN3O/c11-5-1-2-6-7(3-5)14-9-8(6)10(15)13-4-12-9/h1-4H,(H2,12,13,14,15)
InChI Key:
USGLMLPELRZWAZ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)[nH]c1c2c(=O)[nH]cn1
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.049g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.176g/mol
Monoisotopic Mass:
203.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties