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14505-17-0 | Benzene, 1-nitro-4-(tribromomethyl)-
CAS No: 14505-17-0 Catalog No: AG001KI9 MDL No:
Product Description
Catalog Number:
AG001KI9
Chemical Name:
Benzene, 1-nitro-4-(tribromomethyl)-
CAS Number:
14505-17-0
Molecular Formula:
C7H4Br3NO2
Molecular Weight:
373.8242
IUPAC Name:
1-nitro-4-(tribromomethyl)benzene
InChI:
InChI=1S/C7H4Br3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
InChI Key:
IXZRLXWDWGAGBH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(Br)(Br)Br
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.777g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.826g/mol
Monoisotopic Mass:
370.779g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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