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18242-38-1 | Benzene, 1-bromo-2-methyl-3,5-dinitro-
CAS No: 18242-38-1 Catalog No: AG0023W0 MDL No:MFCD01463297
Product Description
Catalog Number:
AG0023W0
Chemical Name:
Benzene, 1-bromo-2-methyl-3,5-dinitro-
CAS Number:
18242-38-1
Molecular Formula:
C7H5BrN2O4
Molecular Weight:
261.0296
MDL Number:
MFCD01463297
IUPAC Name:
1-bromo-2-methyl-3,5-dinitrobenzene
InChI:
InChI=1S/C7H5BrN2O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,1H3
InChI Key:
VPCDPLZDNORAKR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.943g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.031g/mol
Monoisotopic Mass:
259.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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