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367-86-2

367-86-2 | 4-Fluoro-3-Nitrobenzotrifluoride

CAS No: 367-86-2 Catalog No: AG0032RE MDL No:MFCD00007059

Product Description

Catalog Number:
AG0032RE
Chemical Name:
4-Fluoro-3-Nitrobenzotrifluoride
CAS Number:
367-86-2
Molecular Formula:
C7H3F4NO2
Molecular Weight:
209.0978
MDL Number:
MFCD00007059
IUPAC Name:
1-fluoro-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F4NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:
HLDFCCHSOZWKAA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1F)C(F)(F)F
EC Number:
206-702-5
NSC Number:
10303

Properties

Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.1g/mol
Monoisotopic Mass:
209.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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