Home Fluorides 102422-56-0
102422-56-0,MFCD02093692
Catalog No.:AA0007DC
102422-56-0 | 3-Fluorobenzyl isocyanate
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Technical Information
Catalog Number:
AA0007DC
Chemical Name:
3-Fluorobenzyl isocyanate
CAS Number:
102422-56-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD02093692
IUPAC Name:
1-fluoro-3-(isocyanatomethyl)benzene
InChI:
InChI=1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChI Key:
PHRJTGPFEAUEBC-UHFFFAOYSA-N
SMILES:
O=C=NCc1cccc(c1)F
Properties
Computed Properties
 
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.043g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.14g/mol
Monoisotopic Mass:
151.043g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
3-Fluorobenzyl isocyanate 
102422-56-0 
3-fluoro-benzyl isocyanate 
AC1LD7D7 
SCHEMBL5263 
3-fluorophenylmethyl isocyanate 
CTK4A1035 
DTXSID60349200 
PHRJTGPFEAUEBC-UHFFFAOYSA-N 
1-fluoro-3-isocyanatomethylbenzene 
ALBB-007565 
ZINC2389319 
1-fluoro-3-(isocyanatomethyl)benzene 
7636AC 
GEO-01394 
MFCD02093692 
STK504625 
AKOS005171733 
AS04384 
MCULE-4598745470 
RTR-000610 
VZ26880 
1-fluoranyl-3-(isocyanatomethyl)benzene 
3-FLUOROBENZylisoCYANATE 
AB0068524 
TR-000610 
BB 0254655 
FT-0642483 
R5539 
A800573 
W-200070 
I01-15328 
InChI=1/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H 
C8H6FNO 
benzene, 1-fluoro-3-(isocyanatomethyl)- 
CID643499 
3-Fluorobenzyl isocyanate, 98% 
Benzene,1-fluoro-3-(isocyanatomethyl)- 
PubChem16233 
ACMC-20aov0 
AC1Q4LNP 
Literature
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