Home Other Building Blocks 8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

CAS No.:
844648-10-8
Catalog Number:
AG01BGFW
Molecular Formula:
C9H8FNO2
Molecular Weight:
181.1637
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Product Description
Catalog Number:
AG01BGFW
Chemical Name:
8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
CAS Number:
844648-10-8
Molecular Formula:
C9H8FNO2
Molecular Weight:
181.1637
MDL Number:
MFCD22416207
IUPAC Name:
8-fluoro-3,4-dihydro-2H-1,4-benzoxazepin-5-one
InChI:
InChI=1S/C9H8FNO2/c10-6-1-2-7-8(5-6)13-4-3-11-9(7)12/h1-2,5H,3-4H2,(H,11,12)
InChI Key:
UTQCOPZWZFHBAJ-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)OCCNC2=O
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.054g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.166g/mol
Monoisotopic Mass:
181.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties