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Home > Nitro Compounds > 160918-08-1
160918-08-1 | N-(3-methylbutyl)-2-nitroaniline
CAS No: 160918-08-1 Catalog No: AG01AXJ4 MDL No:MFCD11122969
Product Description
Catalog Number:
AG01AXJ4
Chemical Name:
N-(3-methylbutyl)-2-nitroaniline
CAS Number:
160918-08-1
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11122969
IUPAC Name:
N-(3-methylbutyl)-2-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-9(2)7-8-12-10-5-3-4-6-11(10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChI Key:
GGNSUYDFIMBOED-UHFFFAOYSA-N
SMILES:
CC(CCNc1ccccc1[N+](=O)[O-])C
Properties
Complexity:
201
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:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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