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Home > Nitro Compounds > 1040068-86-7
1040068-86-7 | N-(3-methylbutan-2-yl)-2-nitroaniline
CAS No: 1040068-86-7 Catalog No: AG01AXIU MDL No:MFCD11174102
Product Description
Catalog Number:
AG01AXIU
Chemical Name:
N-(3-methylbutan-2-yl)-2-nitroaniline
CAS Number:
1040068-86-7
Molecular Formula:
C11H16N2O2
Molecular Weight:
208.2569
MDL Number:
MFCD11174102
IUPAC Name:
N-(3-methylbutan-2-yl)-2-nitroaniline
InChI:
InChI=1S/C11H16N2O2/c1-8(2)9(3)12-10-6-4-5-7-11(10)13(14)15/h4-9,12H,1-3H3
InChI Key:
HBPSTNGDALJIPE-UHFFFAOYSA-N
SMILES:
CC(C(Nc1ccccc1[N+](=O)[O-])C)C
Properties
Complexity:
213
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:
3.9
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