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1227604-33-2 | Benzenemethanol, 2-nitro-5-(trifluoromethyl)-
CAS No: 1227604-33-2 Catalog No: AG000JEQ MDL No:MFCD16606347
Product Description
Catalog Number:
AG000JEQ
Chemical Name:
Benzenemethanol, 2-nitro-5-(trifluoromethyl)-
CAS Number:
1227604-33-2
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD16606347
IUPAC Name:
[2-nitro-5-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F3NO3/c9-8(10,11)6-1-2-7(12(14)15)5(3-6)4-13/h1-3,13H,4H2
InChI Key:
GQOSINQFQQRBFR-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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