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2837-22-1 | 2,5-Difluoro-3-nitrobenzotrifluoride
CAS No: 2837-22-1 Catalog No: AG01EUOC MDL No:MFCD22375209
Product Description
Catalog Number:
AG01EUOC
Chemical Name:
2,5-Difluoro-3-nitrobenzotrifluoride
CAS Number:
2837-22-1
Molecular Formula:
C7H2F5NO2
Molecular Weight:
227.0883
MDL Number:
MFCD22375209
IUPAC Name:
2,5-difluoro-1-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H2F5NO2/c8-3-1-4(7(10,11)12)6(9)5(2-3)13(14)15/h1-2H
InChI Key:
VJNPKYLIWUUCOU-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c(c(c1)C(F)(F)F)F
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.09g/mol
Monoisotopic Mass:
227.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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