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Home > Nitro Compounds > 1040023-51-5
1040023-51-5 | N-(3-methylbutan-2-yl)-4-nitroaniline
CAS No: 1040023-51-5 Catalog No: AG01AXIV MDL No:MFCD11174104
Product Description
Catalog Number:
AG01AXIV
Chemical Name:
N-(3-methylbutan-2-yl)-4-nitroaniline
CAS Number:
1040023-51-5
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11174104
IUPAC Name:
N-(3-methylbutan-2-yl)-4-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-8(2)9(3)12-10-4-6-11(7-5-10)13(14)15/h4-9,12H,1-3H3
InChI Key:
ZRWLHKJBHBNKSL-UHFFFAOYSA-N
SMILES:
CC(C(C)C)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
205
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:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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