Home Other Building Blocks 2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)ethan-1-ol hydrochloride

2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)ethan-1-ol hydrochloride

CAS No.:
1955493-77-2
Catalog Number:
AG01C5P5
Molecular Formula:
C10H13ClFNO2
Molecular Weight:
233.6671
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Product Description
Catalog Number:
AG01C5P5
Chemical Name:
2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)ethan-1-ol hydrochloride
CAS Number:
1955493-77-2
Molecular Formula:
C10H13ClFNO2
Molecular Weight:
233.6671
MDL Number:
MFCD29991461
IUPAC Name:
2-(6-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)ethanol;hydrochloride
InChI:
InChI=1S/C10H12FNO2.ClH/c11-7-1-2-10-9(5-7)12-8(3-4-13)6-14-10;/h1-2,5,8,12-13H,3-4,6H2;1H
InChI Key:
JJYRIZGJCSHPTQ-UHFFFAOYSA-N
SMILES:
OCCC1COc2c(N1)cc(cc2)F.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.667g/mol
Monoisotopic Mass:
233.062g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties