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408340-39-6 | 2,5-Dibromo-3-nitrotoluene
CAS No: 408340-39-6 Catalog No: AG01EVUP MDL No:MFCD11846032
Product Description
Catalog Number:
AG01EVUP
Chemical Name:
2,5-Dibromo-3-nitrotoluene
CAS Number:
408340-39-6
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD11846032
IUPAC Name:
2,5-dibromo-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO2/c1-4-2-5(8)3-6(7(4)9)10(11)12/h2-3H,1H3
InChI Key:
NQAFPSSLVAEYCQ-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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