Home Fluorides 102561-42-2
102561-42-2,MFCD00037071
Catalog No.:AA0007MO
102561-42-2 | 2-Fluoro-4-isocyanato-1-methylbenzene
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1g
98%
in stock  
$54.00   $38.00
- +
5g
98%
in stock  
$189.00   $133.00
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25g
98%
in stock  
$539.00   $377.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA0007MO
Chemical Name:
2-Fluoro-4-isocyanato-1-methylbenzene
CAS Number:
102561-42-2
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD00037071
IUPAC Name:
2-fluoro-4-isocyanato-1-methylbenzene
InChI:
InChI=1S/C8H6FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChI Key:
FWRCOINKYLERQL-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(c(c1)F)C
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:
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:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Synonyms
 
2-fluoro-4-isocyanato-1-methylbenzene 
102561-42-2 
ALBB-003044 
ZINC2384731 
7657AC 
STK502564 
2-fluoro-4isocyanato-1-methylbenzene 
AKOS000184634 
MCULE-2304698863 
1-fluoro-5-isocyanato-2-methyl-benzene 
PS-10287 
3-Fluoro-4-methylphenyl isocyanate, 98% 
3-Fluoro-4-methylphenyl isocyanate 
Benzene, 2-fluoro-4-isocyanato-1-methyl- 
TR-053073 
BB 0262822 
FT-0615697 
K-0316 
J-000719 
C8H6FNO 
3-Fluoro-4-methylphenyl isothiocyanate 
ZINC02384731 
ACN-055872 
3-fluoro-4-methylphenylisocyanate 
CID2737398 
Benzene, 2-fluoro-4-isocyanato-1-methyl- (9CI) 
ACMC-20an3m 
AC1Q2LTM 
SCHEMBL420468 
AC1MC790 
CTK7G9900 
FWRCOINKYLERQL-UHFFFAOYSA-N 
Literature
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