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30377-62-9 | Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
CAS No: 30377-62-9 Catalog No: AG002ZXD MDL No:MFCD00044178
Product Description
Catalog Number:
AG002ZXD
Chemical Name:
Benzenamine, N-ethyl-2-nitro-4-(trifluoromethyl)-
CAS Number:
30377-62-9
Molecular Formula:
C9H9F3N2O2
Molecular Weight:
234.1752
MDL Number:
MFCD00044178
IUPAC Name:
N-ethyl-2-nitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H9F3N2O2/c1-2-13-7-4-3-6(9(10,11)12)5-8(7)14(15)16/h3-5,13H,2H2,1H3
InChI Key:
XGYBRXYMSSZKPY-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
EC Number:
250-160-2
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.178g/mol
Monoisotopic Mass:
234.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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