Home Other Building Blocks 1-Fluoro-3-Isocyanato-2-Methyl-Benzene

1-Fluoro-3-Isocyanato-2-Methyl-Benzene

CAS No.:
60221-81-0
Catalog Number:
AG003EBZ
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
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Product Description
Catalog Number:
AG003EBZ
Chemical Name:
1-Fluoro-3-Isocyanato-2-Methyl-Benzene
CAS Number:
60221-81-0
Molecular Formula:
C8H6FNO
Molecular Weight:
151.1377
MDL Number:
MFCD07779361
IUPAC Name:
1-fluoro-3-isocyanato-2-methylbenzene
InChI:
InChI=1S/C8H6FNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
InChI Key:
OXJRWBPYWYAGNW-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1F)N=C=O
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  
Properties