Home Halogens 4-bromo-2-fluoro-1-(2-isocyanatoethyl)benzene

4-bromo-2-fluoro-1-(2-isocyanatoethyl)benzene

CAS No.:
1384427-62-6
Catalog Number:
AG019ZFO
Molecular Formula:
C9H7BrFNO
Molecular Weight:
244.0604
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Product Description
Catalog Number:
AG019ZFO
Chemical Name:
4-bromo-2-fluoro-1-(2-isocyanatoethyl)benzene
CAS Number:
1384427-62-6
Molecular Formula:
C9H7BrFNO
Molecular Weight:
244.0604
MDL Number:
MFCD22369935
IUPAC Name:
4-bromo-2-fluoro-1-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C9H7BrFNO/c10-8-2-1-7(9(11)5-8)3-4-12-6-13/h1-2,5H,3-4H2
InChI Key:
VCBICGUUADFYNQ-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccc(cc1F)Br
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.97g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.063g/mol
Monoisotopic Mass:
242.97g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties