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Home > Nitro Compounds > 4138-39-0
4138-39-0 | 4-nitro-N-pentylaniline
CAS No: 4138-39-0 Catalog No: AG01AXJ1 MDL No:MFCD11122313
Product Description
Catalog Number:
AG01AXJ1
Chemical Name:
4-nitro-N-pentylaniline
CAS Number:
4138-39-0
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11122313
IUPAC Name:
4-nitro-N-pentylaniline
InChI:
InChI=1S/C11H16N2O2/c1-2-3-4-9-12-10-5-7-11(8-6-10)13(14)15/h5-8,12H,2-4,9H2,1H3
InChI Key:
KIOKVHBEBCVZQC-UHFFFAOYSA-N
SMILES:
CCCCCNc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.261g/mol
Monoisotopic Mass:
208.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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