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88138-55-0 | Benzene, 1-[(5-bromopentyl)oxy]-2-nitro-
CAS No: 88138-55-0 Catalog No: AG004F2X MDL No:
Product Description
Catalog Number:
AG004F2X
Chemical Name:
Benzene, 1-[(5-bromopentyl)oxy]-2-nitro-
CAS Number:
88138-55-0
Molecular Formula:
C11H14BrNO3
Molecular Weight:
288.1378
IUPAC Name:
1-(5-bromopentoxy)-2-nitrobenzene
InChI:
InChI=1S/C11H14BrNO3/c12-8-4-1-5-9-16-11-7-3-2-6-10(11)13(14)15/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
APHDOZZMVMHFQP-UHFFFAOYSA-N
SMILES:
BrCCCCCOc1ccccc1[N+](=O)[O-]
Properties
Complexity:
208
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:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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