Home Other Building Blocks 7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine

7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine

CAS No.:
82419-29-2
Catalog Number:
AG01C32B
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
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Product Description
Catalog Number:
AG01C32B
Chemical Name:
7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS Number:
82419-29-2
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
MDL Number:
MFCD20667401
IUPAC Name:
7,8-difluoro-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C8H7F2NO/c9-5-1-2-6-8(7(5)10)12-4-3-11-6/h1-2,11H,3-4H2
InChI Key:
PZPVTXOFDWKYDD-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1F)OCCN2
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.05g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.147g/mol
Monoisotopic Mass:
171.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties