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1996-69-6 | Benzene, 1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-
CAS No: 1996-69-6 Catalog No: AG002C8J MDL No:MFCD00052260
Product Description
Catalog Number:
AG002C8J
Chemical Name:
Benzene, 1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)-
CAS Number:
1996-69-6
Molecular Formula:
C14H10F3NO4
Molecular Weight:
313.2287
MDL Number:
MFCD00052260
IUPAC Name:
1-(4-methoxyphenoxy)-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H10F3NO4/c1-21-10-3-5-11(6-4-10)22-13-7-2-9(14(15,16)17)8-12(13)18(19)20/h2-8H,1H3
InChI Key:
WJNPONNEXMSLPF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.232g/mol
Monoisotopic Mass:
313.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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