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Home > Fluorides > 123973-37-5
123973-37-5 | 5-Nitro-2,3,4-trifluorobenzotrifluoride
CAS No: 123973-37-5 Catalog No: AG01FC8S MDL No:MFCD23701354
Product Description
Catalog Number:
AG01FC8S
Chemical Name:
5-Nitro-2,3,4-trifluorobenzotrifluoride
CAS Number:
123973-37-5
Molecular Formula:
C7HF6NO2
Molecular Weight:
245.0788
MDL Number:
MFCD23701354
IUPAC Name:
2,3,4-trifluoro-1-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C7HF6NO2/c8-4-2(7(11,12)13)1-3(14(15)16)5(9)6(4)10/h1H
InChI Key:
ZRJZQDMKRCVQHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1F)F)F)C(F)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.08g/mol
Monoisotopic Mass:
244.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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