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Home > Fluorides > 136773-58-5
136773-58-5 | 1H-Pyrrole, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS No: 136773-58-5 Catalog No: AG0012C5 MDL No:MFCD00119450
Product Description
Catalog Number:
AG0012C5
Chemical Name:
1H-Pyrrole, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
CAS Number:
136773-58-5
Molecular Formula:
C11H7F3N2O2
Molecular Weight:
256.1807
MDL Number:
MFCD00119450
IUPAC Name:
1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole
InChI:
InChI=1S/C11H7F3N2O2/c12-11(13,14)8-3-4-9(10(7-8)16(17)18)15-5-1-2-6-15/h1-7H
InChI Key:
FBMZMYJNCROIQS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1n1cccc1)C(F)(F)F
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.184g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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