Home Nitros 2-nitro-2-(trifluoromethyl)propane-1,3-diol

2-nitro-2-(trifluoromethyl)propane-1,3-diol

CAS No.:
3857-06-5
Catalog Number:
AG01B6MJ
Molecular Formula:
C4H6F3NO4
Molecular Weight:
189.0899
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Product Description
Catalog Number:
AG01B6MJ
Chemical Name:
2-nitro-2-(trifluoromethyl)propane-1,3-diol
CAS Number:
3857-06-5
Molecular Formula:
C4H6F3NO4
Molecular Weight:
189.0899
MDL Number:
MFCD30344940
IUPAC Name:
2-nitro-2-(trifluoromethyl)propane-1,3-diol
InChI:
InChI=1S/C4H6F3NO4/c5-4(6,7)3(1-9,2-10)8(11)12/h9-10H,1-2H2
InChI Key:
RJUTXXKCEAXDDF-UHFFFAOYSA-N
SMILES:
OCC(C(F)(F)F)([N+](=O)[O-])CO
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.025g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
189.09g/mol
Monoisotopic Mass:
189.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties