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71078-46-1 | Phenol, 4-[2-nitro-4-(trifluoromethyl)phenoxy]-
CAS No: 71078-46-1 Catalog No: AG005ERY MDL No:
Product Description
Catalog Number:
AG005ERY
Chemical Name:
Phenol, 4-[2-nitro-4-(trifluoromethyl)phenoxy]-
CAS Number:
71078-46-1
Molecular Formula:
C13H8F3NO4
Molecular Weight:
299.2021
IUPAC Name:
4-[2-nitro-4-(trifluoromethyl)phenoxy]phenol
InChI:
InChI=1S/C13H8F3NO4/c14-13(15,16)8-1-6-12(11(7-8)17(19)20)21-10-4-2-9(18)3-5-10/h1-7,18H
InChI Key:
IWLRGEKAYJALDI-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.041g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.205g/mol
Monoisotopic Mass:
299.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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