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Home > Nitro Compounds > 1036473-16-1
1036473-16-1 | N-(3-methylbutyl)-4-nitroaniline
CAS No: 1036473-16-1 Catalog No: AG01AXJ5 MDL No:MFCD11117312
Product Description
Catalog Number:
AG01AXJ5
Chemical Name:
N-(3-methylbutyl)-4-nitroaniline
CAS Number:
1036473-16-1
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11117312
IUPAC Name:
N-(3-methylbutyl)-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-9(2)7-8-12-10-3-5-11(6-4-10)13(14)15/h3-6,9,12H,7-8H2,1-2H3
InChI Key:
RSZOPJQGGYFSTG-UHFFFAOYSA-N
SMILES:
CC(CCNc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
193
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:
3.4
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