Home Nitros 1-tert-butyl-2-fluoro-4-nitrobenzene

1-tert-butyl-2-fluoro-4-nitrobenzene

CAS No.:
489-18-9
Catalog Number:
AG01C02G
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
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Product Description
Catalog Number:
AG01C02G
Chemical Name:
1-tert-butyl-2-fluoro-4-nitrobenzene
CAS Number:
489-18-9
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
MDL Number:
MFCD26393433
IUPAC Name:
1-tert-butyl-2-fluoro-4-nitrobenzene
InChI:
InChI=1S/C10H12FNO2/c1-10(2,3)8-5-4-7(12(13)14)6-9(8)11/h4-6H,1-3H3
InChI Key:
JTCVHMXGBLEHOJ-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1C(C)(C)C)[N+](=O)[O-]
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties