1-bromo-4-(1,1-difluoroethyl)benzene


Chemical Name: 1-bromo-4-(1,1-difluoroethyl)benzene
CAS Number: 1000994-95-5
Product Number: AG0000WY(AGN-PC-07B7BH)
Synonyms:
MDL No:
Molecular Formula: C8H7BrF2
Molecular Weight: 221.0420

Identification/Properties


Computed Properties
Molecular Weight:
221.045g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
219.97g/mol
Monoisotopic Mass:
219.97g/mol
Topological Polar Surface Area:
0A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
128
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:
Danger
UN#:
2810
Hazard Statements:
H227-H301-H315-H319
Precautionary Statements:
P210-P280-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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