Home Other Building Blocks 1-FLUORO-4-(1-ISOCYANATOCYCLOPENTYL)BENZENE

1-FLUORO-4-(1-ISOCYANATOCYCLOPENTYL)BENZENE

CAS No.:
1226221-21-1
Catalog Number:
AG01C0S0
Molecular Formula:
C12H12FNO
Molecular Weight:
205.2282
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Product Description
Catalog Number:
AG01C0S0
Chemical Name:
1-FLUORO-4-(1-ISOCYANATOCYCLOPENTYL)BENZENE
CAS Number:
1226221-21-1
Molecular Formula:
C12H12FNO
Molecular Weight:
205.2282
MDL Number:
MFCD16305930
IUPAC Name:
1-fluoro-4-(1-isocyanatocyclopentyl)benzene
InChI:
InChI=1S/C12H12FNO/c13-11-5-3-10(4-6-11)12(14-9-15)7-1-2-8-12/h3-6H,1-2,7-8H2
InChI Key:
LLVKJBKKMUMUKZ-UHFFFAOYSA-N
SMILES:
O=C=NC1(CCCC1)c1ccc(cc1)F
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.232g/mol
Monoisotopic Mass:
205.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties