Home Other Building Blocks 8-fluoro-2-methyl-4H-3,1-benzoxazin-4-one

8-fluoro-2-methyl-4H-3,1-benzoxazin-4-one

CAS No.:
1044749-59-8
Catalog Number:
AG01B7IB
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
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Product Description
Catalog Number:
AG01B7IB
Chemical Name:
8-fluoro-2-methyl-4H-3,1-benzoxazin-4-one
CAS Number:
1044749-59-8
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD20040002
IUPAC Name:
8-fluoro-2-methyl-3,1-benzoxazin-4-one
InChI:
InChI=1S/C9H6FNO2/c1-5-11-8-6(9(12)13-5)3-2-4-7(8)10/h2-4H,1H3
InChI Key:
MVGVMSZJEPBERH-UHFFFAOYSA-N
SMILES:
Cc1oc(=O)c2c(n1)c(F)ccc2
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties