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Home > Nitro Compounds > 1157022-00-8
1157022-00-8 | N-(3-methylbutyl)-3-nitroaniline
CAS No: 1157022-00-8 Catalog No: AG01AYNS MDL No:MFCD12175150
Product Description
Catalog Number:
AG01AYNS
Chemical Name:
N-(3-methylbutyl)-3-nitroaniline
CAS Number:
1157022-00-8
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD12175150
IUPAC Name:
N-(3-methylbutyl)-3-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-9(2)6-7-12-10-4-3-5-11(8-10)13(14)15/h3-5,8-9,12H,6-7H2,1-2H3
InChI Key:
CLMRWGZVGKJDJS-UHFFFAOYSA-N
SMILES:
CC(CCNc1cccc(c1)[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:
3.4
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