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740-47-6 | N-(BENZYLIDENEAMINO)-2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
CAS No: 740-47-6 Catalog No: AG005I42 MDL No:
Product Description
Catalog Number:
AG005I42
Chemical Name:
N-(BENZYLIDENEAMINO)-2-NITRO-4-(TRIFLUOROMETHYL)ANILINE
CAS Number:
740-47-6
Molecular Formula:
C14H10F3N3O2
Molecular Weight:
309.2433
IUPAC Name:
N-(benzylideneamino)-2-nitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C14H10F3N3O2/c15-14(16,17)11-6-7-12(13(8-11)20(21)22)19-18-9-10-4-2-1-3-5-10/h1-9,19H
InChI Key:
JFXXJVZAGGTIJW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NN=Cc1ccccc1)C(F)(F)F
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.248g/mol
Monoisotopic Mass:
309.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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