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

8-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

CAS No.:
710349-38-5
Catalog Number:
AG01AJPF
Molecular Formula:
C9H9FN2O
Molecular Weight:
180.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AJPF
Chemical Name:
8-fluoro-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
CAS Number:
710349-38-5
Molecular Formula:
C9H9FN2O
Molecular Weight:
180.1790
IUPAC Name:
7-fluoro-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
InChI:
InChI=1S/C9H9FN2O/c10-6-1-2-7-8(5-6)12-9(13)3-4-11-7/h1-2,5,11H,3-4H2,(H,12,13)
InChI Key:
KYBBJAIANVVYSG-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c(N1)cc(F)cc2
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
180.182g/mol
Monoisotopic Mass:
180.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties