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Home > Bromides > 1381944-70-2
1381944-70-2 | Benzene, 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitro-
CAS No: 1381944-70-2 Catalog No: AG00187Q MDL No:MFCD22375008
Product Description
Catalog Number:
AG00187Q
Chemical Name:
Benzene, 5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitro-
CAS Number:
1381944-70-2
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
MDL Number:
MFCD22375008
IUPAC Name:
5-bromo-1-methyl-2-(2-methylpropoxy)-3-nitrobenzene
InChI:
InChI=1S/C11H14BrNO3/c1-7(2)6-16-11-8(3)4-9(12)5-10(11)13(14)15/h4-5,7H,6H2,1-3H3
InChI Key:
HPYQEDDPXXYXII-UHFFFAOYSA-N
SMILES:
CC(COc1c(C)cc(cc1[N+](=O)[O-])Br)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.141g/mol
Monoisotopic Mass:
287.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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