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1744-23-6 | 4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether
CAS No: 1744-23-6 Catalog No: AG01F8UY MDL No:MFCD00511818
Product Description
Catalog Number:
AG01F8UY
Chemical Name:
4-Bromo-2'-nitro-4'-(trifluoromethyl)diphenyl ether
CAS Number:
1744-23-6
Molecular Formula:
C13H7BrF3NO3
Molecular Weight:
362.0988
MDL Number:
MFCD00511818
IUPAC Name:
1-(4-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C13H7BrF3NO3/c14-9-2-4-10(5-3-9)21-12-6-1-8(13(15,16)17)7-11(12)18(19)20/h1-7H
InChI Key:
MZXHTXIJHDDHNC-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.956g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.102g/mol
Monoisotopic Mass:
360.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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