Home Nitros 1,3-difluoro-2-methyl-5-nitrobenzene

1,3-difluoro-2-methyl-5-nitrobenzene

CAS No.:
170572-48-2
Catalog Number:
AG00AO7N
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
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Product Description
Catalog Number:
AG00AO7N
Chemical Name:
1,3-difluoro-2-methyl-5-nitrobenzene
CAS Number:
170572-48-2
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD03094192
IUPAC Name:
1,3-difluoro-2-methyl-5-nitrobenzene
InChI:
InChI=1S/C7H5F2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
InChI Key:
QRGQSKODTJDDHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(c(c1)F)C
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties