Home Halogens 4-bromo-2-(difluoromethoxy)benzonitrile

4-bromo-2-(difluoromethoxy)benzonitrile

CAS No.:
1261494-95-4
Catalog Number:
AG01A72J
Molecular Formula:
C8H4BrF2NO
Molecular Weight:
248.0243
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Product Description
Catalog Number:
AG01A72J
Chemical Name:
4-bromo-2-(difluoromethoxy)benzonitrile
CAS Number:
1261494-95-4
Molecular Formula:
C8H4BrF2NO
Molecular Weight:
248.0243
MDL Number:
MFCD18390880
IUPAC Name:
4-bromo-2-(difluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H4BrF2NO/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-3,8H
InChI Key:
LBXXMNAPNXRKPB-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(Br)ccc1C#N)F
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.944g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.027g/mol
Monoisotopic Mass:
246.944g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties