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76435-23-9 | 3,5-Dibromo-2-nitrotoluene
CAS No: 76435-23-9 Catalog No: AG01EXBT MDL No:MFCD11846019
Product Description
Catalog Number:
AG01EXBT
Chemical Name:
3,5-Dibromo-2-nitrotoluene
CAS Number:
76435-23-9
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD11846019
IUPAC Name:
1,5-dibromo-3-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO2/c1-4-2-5(8)3-6(9)7(4)10(11)12/h2-3H,1H3
InChI Key:
QCCRQIPAJVHCDN-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)Br)[N+](=O)[O-]
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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