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839673-71-1 | Benzene, 1-(4,4-dibromo-3-buten-1-ynyl)-4-nitro-
CAS No: 839673-71-1 Catalog No: AG004UKN MDL No:
Product Description
Catalog Number:
AG004UKN
Chemical Name:
Benzene, 1-(4,4-dibromo-3-buten-1-ynyl)-4-nitro-
CAS Number:
839673-71-1
Molecular Formula:
C10H5Br2NO2
Molecular Weight:
330.9602
IUPAC Name:
1-(4,4-dibromobut-3-en-1-ynyl)-4-nitrobenzene
InChI:
InChI=1S/C10H5Br2NO2/c11-10(12)3-1-2-8-4-6-9(7-5-8)13(14)15/h3-7H
InChI Key:
QNDPSTHRYDALRH-UHFFFAOYSA-N
SMILES:
BrC(=CC#Cc1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.867g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.963g/mol
Monoisotopic Mass:
328.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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