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7244-78-2 | 1-Butoxy-4-nitrobenzene
CAS No: 7244-78-2 Catalog No: AG003E61 MDL No:MFCD00024688
Product Description
Catalog Number:
AG003E61
Chemical Name:
1-Butoxy-4-nitrobenzene
CAS Number:
7244-78-2
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
MDL Number:
MFCD00024688
IUPAC Name:
1-butoxy-4-nitrobenzene
InChI:
InChI=1S/C10H13NO3/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3
InChI Key:
XCCDVVZINDJESR-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)[N+](=O)[O-]
NSC Number:
86583
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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