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10223-72-0 | Benzenamine, N-butyl-2,6-dinitro-4-(trifluoromethyl)-
CAS No: 10223-72-0 Catalog No: AG0006ZP MDL No:
Product Description
Catalog Number:
AG0006ZP
Chemical Name:
Benzenamine, N-butyl-2,6-dinitro-4-(trifluoromethyl)-
CAS Number:
10223-72-0
Molecular Formula:
C11H12F3N3O4
Molecular Weight:
307.2259
IUPAC Name:
N-butyl-2,6-dinitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H12F3N3O4/c1-2-3-4-15-10-8(16(18)19)5-7(11(12,13)14)6-9(10)17(20)21/h5-6,15H,2-4H2,1H3
InChI Key:
MMWUYVYVWCPGKB-UHFFFAOYSA-N
SMILES:
CCCCNc1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.229g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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