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2069-14-9 | Benzene, 1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)-
CAS No: 2069-14-9 Catalog No: AG002IRC MDL No:MFCD00069136
Product Description
Catalog Number:
AG002IRC
Chemical Name:
Benzene, 1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)-
CAS Number:
2069-14-9
Molecular Formula:
C13H7BrF3NO3
Molecular Weight:
362.0988
MDL Number:
MFCD00069136
IUPAC Name:
1-(2-bromophenoxy)-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C13H7BrF3NO3/c14-9-3-1-2-4-11(9)21-12-6-5-8(13(15,16)17)7-10(12)18(19)20/h1-7H
InChI Key:
MEJCOJYNRIVQRG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Oc1ccccc1Br)C(F)(F)F
Properties
Complexity:
375
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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