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101580-70-5 | Benzene, 1,2-dibromo-4-methyl-5-nitro-
CAS No: 101580-70-5 Catalog No: AG0004UP MDL No:MFCD23135744
Product Description
Catalog Number:
AG0004UP
Chemical Name:
Benzene, 1,2-dibromo-4-methyl-5-nitro-
CAS Number:
101580-70-5
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD23135744
IUPAC Name:
1,2-dibromo-4-methyl-5-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO2/c1-4-2-5(8)6(9)3-7(4)10(11)12/h2-3H,1H3
InChI Key:
OJFOMLFOBYEZNH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(cc1C)Br
EC Number:
600-228-6
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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