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2105-61-5 | Benzene, 1,2,4-trifluoro-5-nitro-
CAS No: 2105-61-5 Catalog No: AG002KTL MDL No:MFCD00007051
Product Description
Catalog Number:
AG002KTL
Chemical Name:
Benzene, 1,2,4-trifluoro-5-nitro-
CAS Number:
2105-61-5
Molecular Formula:
C6H2F3NO2
Molecular Weight:
177.0808
MDL Number:
MFCD00007051
IUPAC Name:
1,2,4-trifluoro-5-nitrobenzene
InChI:
InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
InChI Key:
ROJNMGYMBLNTPK-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c(cc1F)F
EC Number:
218-281-5
NSC Number:
10248
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.082g/mol
Monoisotopic Mass:
177.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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