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Home > Nitro Compounds > 306730-49-4
306730-49-4 | 4-tert-butyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline
CAS No: 306730-49-4 Catalog No: AG00IZMV MDL No:MFCD00169376
Product Description
Catalog Number:
AG00IZMV
Chemical Name:
4-tert-butyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline
CAS Number:
306730-49-4
Molecular Formula:
C18H20N2O4
Molecular Weight:
328.3624
MDL Number:
MFCD00169376
IUPAC Name:
4-tert-butyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methyl]aniline
InChI:
InChI=1S/C18H20N2O4/c1-18(2,3)13-4-6-14(7-5-13)19-10-12-8-16-17(24-11-23-16)9-15(12)20(21)22/h4-9,19H,10-11H2,1-3H3
InChI Key:
WBVGZTMKZMMBCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2OCOc2cc1CNc1ccc(cc1)C(C)(C)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.368g/mol
Monoisotopic Mass:
328.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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