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13094-50-3 | Benzene, 1-(3-bromopropoxy)-4-nitro-
CAS No: 13094-50-3 Catalog No: AG000V56 MDL No:MFCD00596643
Product Description
Catalog Number:
AG000V56
Chemical Name:
Benzene, 1-(3-bromopropoxy)-4-nitro-
CAS Number:
13094-50-3
Molecular Formula:
C9H10BrNO3
Molecular Weight:
260.0846
MDL Number:
MFCD00596643
IUPAC Name:
1-(3-bromopropoxy)-4-nitrobenzene
InChI:
InChI=1S/C9H10BrNO3/c10-6-1-7-14-9-4-2-8(3-5-9)11(12)13/h2-5H,1,6-7H2
InChI Key:
LIBYGKUWXRBMPA-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)[N+](=O)[O-]
NSC Number:
93035
Properties
Complexity:
175
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:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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