Home Fluorides 480439-39-2
480439-39-2,MFCD13151931
Catalog No.:AA003H9B
480439-39-2 | 2-Fluorophenethyl isocyanate
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Technical Information
Catalog Number:
AA003H9B
Chemical Name:
2-Fluorophenethyl isocyanate
CAS Number:
480439-39-2
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
MDL Number:
MFCD13151931
IUPAC Name:
1-fluoro-2-(2-isocyanatoethyl)benzene
InChI:
InChI=1S/C9H8FNO/c10-9-4-2-1-3-8(9)5-6-11-7-12/h1-4H,5-6H2
InChI Key:
CWAAEUQHLYIEBC-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccccc1F
Properties
Computed Properties
 
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
2-Fluorophenethyl isocyanate 
480439-39-2 
ZINC2526522 
2-FLUORO PHENETHYL ISOCYANATE 
RT-007808 
2-FLUOROPHENETHYLISOCYANATE97 
CID4588683 
Benzene, 1-fluoro-2-(2-isocyanatoethyl)- (9CI) 
1-fluoro-2-(2-isocyanatoethyl)benzene 
ACMC-20anud 
AC1NE9KP 
2-fluorophenethylisocyanate 
SCHEMBL1847577 
CTK4J0616 
DTXSID10404595 
2-Fluorophenethyl isocyanate, 97% 
Literature
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