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Home > Nitro Compounds > 4237-40-5
4237-40-5 | 1-(sec-Butyl)-4-nitrobenzene
CAS No: 4237-40-5 Catalog No: AG003ENK MDL No:MFCD00130025
Product Description
Catalog Number:
AG003ENK
Chemical Name:
1-(sec-Butyl)-4-nitrobenzene
CAS Number:
4237-40-5
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD00130025
IUPAC Name:
1-butan-2-yl-4-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-3-8(2)9-4-6-10(7-5-9)11(12)13/h4-8H,3H2,1-2H3
InChI Key:
IQRMCUYGEZOTSV-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)[N+](=O)[O-])C
EC Number:
224-196-4
Properties
Complexity:
168
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:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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