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Home > Nitro Compounds > 1157489-62-7
1157489-62-7 | N-(2-methylbutyl)-3-nitroaniline
CAS No: 1157489-62-7 Catalog No: AG01AZ95 MDL No:MFCD12037788
Product Description
Catalog Number:
AG01AZ95
Chemical Name:
N-(2-methylbutyl)-3-nitroaniline
CAS Number:
1157489-62-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12037788
IUPAC Name:
N-(2-methylbutyl)-3-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-3-9(2)8-12-10-5-4-6-11(7-10)13(14)15/h4-7,9,12H,3,8H2,1-2H3
InChI Key:
JGKFVHOZSUMCQP-UHFFFAOYSA-N
SMILES:
CCC(CNc1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
203
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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