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20651-76-7 | Benzene, 1-butyl-3-nitro-
CAS No: 20651-76-7 Catalog No: AG002IIZ MDL No:MFCD11845948
Product Description
Catalog Number:
AG002IIZ
Chemical Name:
Benzene, 1-butyl-3-nitro-
CAS Number:
20651-76-7
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD11845948
IUPAC Name:
1-butyl-3-nitrobenzene
InChI:
InChI=1S/C10H13NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3
InChI Key:
INMYTBBXRJWIOA-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)[N+](=O)[O-]
EC Number:
243-943-5
Properties
Complexity:
165
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:
3.9
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