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55846-44-1 | 1-(2-Bromoethoxy)-4-methyl-2-nitrobenzene
CAS No: 55846-44-1 Catalog No: AG01EWGC MDL No:
Product Description
Catalog Number:
AG01EWGC
Chemical Name:
1-(2-Bromoethoxy)-4-methyl-2-nitrobenzene
CAS Number:
55846-44-1
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
IUPAC Name:
1-(2-bromoethoxy)-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C9H10BrNO3/c1-7-2-3-9(14-5-4-10)8(6-7)11(12)13/h2-3,6H,4-5H2,1H3
InChI Key:
QVSNACFHZRPEFY-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.984g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.087g/mol
Monoisotopic Mass:
258.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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