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89090-81-3 | Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]-
CAS No: 89090-81-3 Catalog No: AG0040L0 MDL No:
Product Description
Catalog Number:
AG0040L0
Chemical Name:
Methanone, (2-fluorophenyl)[5-nitro-2-(2-propenylamino)phenyl]-
CAS Number:
89090-81-3
Molecular Formula:
C16H13FN2O3
Molecular Weight:
300.2844
IUPAC Name:
(2-fluorophenyl)-[5-nitro-2-(prop-2-enylamino)phenyl]methanone
InChI:
InChI=1S/C16H13FN2O3/c1-2-9-18-15-8-7-11(19(21)22)10-13(15)16(20)12-5-3-4-6-14(12)17/h2-8,10,18H,1,9H2
InChI Key:
HWRMMEKPHSDCOA-UHFFFAOYSA-N
SMILES:
C=CCNc1ccc(cc1C(=O)c1ccccc1F)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.289g/mol
Monoisotopic Mass:
300.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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