5,8-Difluorochroman-4-one


Chemical Name: 5,8-Difluorochroman-4-one
CAS Number: 942196-01-2
Product Number: AG00IHZK(AGN-PC-0WAM9P)
Synonyms:
MDL No: MFCD11518475
Molecular Formula: C9H6F2O2
Molecular Weight: 184.1395

Identification/Properties


Computed Properties
Molecular Weight:
184.142g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
184.034g/mol
Monoisotopic Mass:
184.034g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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