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3-nitro-2-(trifluoromethyl)phenol

CAS No.:
731002-53-2
Catalog Number:
AG01BDUT
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
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Product Description
Catalog Number:
AG01BDUT
Chemical Name:
3-nitro-2-(trifluoromethyl)phenol
CAS Number:
731002-53-2
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
MDL Number:
MFCD16606322
IUPAC Name:
3-nitro-2-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4F3NO3/c8-7(9,10)6-4(11(13)14)2-1-3-5(6)12/h1-3,12H
InChI Key:
LAMAMUQIIAELJR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C(F)(F)F)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.108g/mol
Monoisotopic Mass:
207.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties