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1227587-74-7 | Benzenemethanamine, 2-nitro-5-(trifluoromethyl)-
CAS No: 1227587-74-7 Catalog No: AG000JDL MDL No:
Product Description
Catalog Number:
AG000JDL
Chemical Name:
Benzenemethanamine, 2-nitro-5-(trifluoromethyl)-
CAS Number:
1227587-74-7
Molecular Formula:
C8H7F3N2O2
Molecular Weight:
220.1486
IUPAC Name:
[2-nitro-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H7F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H,4,12H2
InChI Key:
IPCQEKVWBNRDHD-UHFFFAOYSA-N
SMILES:
NCc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.151g/mol
Monoisotopic Mass:
220.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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