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13831-59-9 | Benzene, 1-(2-bromoethoxy)-3-nitro-
CAS No: 13831-59-9 Catalog No: AG0018IL MDL No:MFCD07783648
Product Description
Catalog Number:
AG0018IL
Chemical Name:
Benzene, 1-(2-bromoethoxy)-3-nitro-
CAS Number:
13831-59-9
Molecular Formula:
C8H8BrNO3
Molecular Weight:
246.0580
MDL Number:
MFCD07783648
IUPAC Name:
1-(2-bromoethoxy)-3-nitrobenzene
InChI:
InChI=1S/C8H8BrNO3/c9-4-5-13-8-3-1-2-7(6-8)10(11)12/h1-3,6H,4-5H2
InChI Key:
QBUSKXLDUNPEMZ-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc(c1)[N+](=O)[O-]
NSC Number:
111064
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.06g/mol
Monoisotopic Mass:
244.969g/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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