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147808-42-2 | Benzene, 5-bromo-1,3-difluoro-2-nitro-
CAS No: 147808-42-2 Catalog No: AG001F7T MDL No:MFCD12025434
Product Description
Catalog Number:
AG001F7T
Chemical Name:
Benzene, 5-bromo-1,3-difluoro-2-nitro-
CAS Number:
147808-42-2
Molecular Formula:
C6H2BrF2NO2
Molecular Weight:
237.9864
MDL Number:
MFCD12025434
IUPAC Name:
5-bromo-1,3-difluoro-2-nitrobenzene
InChI:
InChI=1S/C6H2BrF2NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChI Key:
ABAGKHWCTWMUDH-UHFFFAOYSA-N
SMILES:
Fc1cc(Br)cc(c1[N+](=O)[O-])F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.924g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.988g/mol
Monoisotopic Mass:
236.924g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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