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13209-16-0 | Benzene, 1,2-bis(dibromomethyl)-4-nitro-
CAS No: 13209-16-0 Catalog No: AG001077 MDL No:MFCD00143350
Product Description
Catalog Number:
AG001077
Chemical Name:
Benzene, 1,2-bis(dibromomethyl)-4-nitro-
CAS Number:
13209-16-0
Molecular Formula:
C8H5Br4NO2
Molecular Weight:
466.7468
MDL Number:
MFCD00143350
IUPAC Name:
1,2-bis(dibromomethyl)-4-nitrobenzene
InChI:
InChI=1S/C8H5Br4NO2/c9-7(10)5-2-1-4(13(14)15)3-6(5)8(11)12/h1-3,7-8H
InChI Key:
KYHYXMVGEXICQQ-UHFFFAOYSA-N
SMILES:
BrC(c1cc(ccc1C(Br)Br)[N+](=O)[O-])Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.701g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.749g/mol
Monoisotopic Mass:
462.705g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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