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20651-75-6 | Benzene, 1-butyl-4-nitro-
CAS No: 20651-75-6 Catalog No: AG002IJ0 MDL No:MFCD00130030
Product Description
Catalog Number:
AG002IJ0
Chemical Name:
Benzene, 1-butyl-4-nitro-
CAS Number:
20651-75-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00130030
IUPAC Name:
1-butyl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChI Key:
JZRBCNLSIDKBMG-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1)[N+](=O)[O-]
EC Number:
243-941-4
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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