Home Halogens 1-bromo-3-fluoro-5-isocyanatobenzene

1-bromo-3-fluoro-5-isocyanatobenzene

CAS No.:
1094485-14-9
Catalog Number:
AG019Y03
Molecular Formula:
C7H3BrFNO
Molecular Weight:
216.0072
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Product Description
Catalog Number:
AG019Y03
Chemical Name:
1-bromo-3-fluoro-5-isocyanatobenzene
CAS Number:
1094485-14-9
Molecular Formula:
C7H3BrFNO
Molecular Weight:
216.0072
MDL Number:
MFCD11619406
IUPAC Name:
1-bromo-3-fluoro-5-isocyanatobenzene
InChI:
InChI=1S/C7H3BrFNO/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H
InChI Key:
SIOKYKPILYGSTR-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(F)cc(c1)Br
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.938g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.009g/mol
Monoisotopic Mass:
214.938g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties