Home Nitros Benzene, 1-fluoro-2,4-dimethyl-5-nitro-

Benzene, 1-fluoro-2,4-dimethyl-5-nitro-

CAS No.:
345-22-2
Catalog Number:
AG00CAI1
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
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Product Description
Catalog Number:
AG00CAI1
Chemical Name:
Benzene, 1-fluoro-2,4-dimethyl-5-nitro-
CAS Number:
345-22-2
Molecular Formula:
C8H8FNO2
Molecular Weight:
169.1530
MDL Number:
MFCD12545823
IUPAC Name:
1-fluoro-2,4-dimethyl-5-nitrobenzene
InChI:
InChI=1S/C8H8FNO2/c1-5-3-6(2)8(10(11)12)4-7(5)9/h3-4H,1-2H3
InChI Key:
WHXPEFPOIQDRJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(cc1C)C
NSC Number:
207869
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.155g/mol
Monoisotopic Mass:
169.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties