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

8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine

CAS No.:
844648-13-1
Catalog Number:
AG01BXUB
Molecular Formula:
C9H10FNO
Molecular Weight:
167.1802
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Product Description
Catalog Number:
AG01BXUB
Chemical Name:
8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
CAS Number:
844648-13-1
Molecular Formula:
C9H10FNO
Molecular Weight:
167.1802
MDL Number:
MFCD20682748
IUPAC Name:
8-fluoro-2,3,4,5-tetrahydro-1,4-benzoxazepine
InChI:
InChI=1S/C9H10FNO/c10-8-2-1-7-6-11-3-4-12-9(7)5-8/h1-2,5,11H,3-4,6H2
InChI Key:
MCVXZLUQBPRIOC-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)OCCNC2
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.075g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.183g/mol
Monoisotopic Mass:
167.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties