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13071-90-4 | Propane, 1,1,1,3,3,3-hexafluoro-2-nitro-
CAS No: 13071-90-4 Catalog No: AG000UTX MDL No:
Product Description
Catalog Number:
AG000UTX
Chemical Name:
Propane, 1,1,1,3,3,3-hexafluoro-2-nitro-
CAS Number:
13071-90-4
Molecular Formula:
C3HF6NO2
Molecular Weight:
197.0360
IUPAC Name:
1,1,1,3,3,3-hexafluoro-2-nitropropane
InChI:
InChI=1S/C3HF6NO2/c4-2(5,6)1(10(11)12)3(7,8)9/h1H
InChI Key:
CNDXTMNJDISJMM-UHFFFAOYSA-N
SMILES:
FC(C(C(F)(F)F)[N+](=O)[O-])(F)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.036g/mol
Monoisotopic Mass:
196.991g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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