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1365271-87-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-nitro-, ethyl ester
CAS No: 1365271-87-9 Catalog No: AG0011YN MDL No:MFCD21609614
Product Description
Catalog Number:
AG0011YN
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-nitro-, ethyl ester
CAS Number:
1365271-87-9
Molecular Formula:
C15H12FNO4
Molecular Weight:
289.2585
MDL Number:
MFCD21609614
IUPAC Name:
ethyl 2-fluoro-4-(3-nitrophenyl)benzoate
InChI:
InChI=1S/C15H12FNO4/c1-2-21-15(18)13-7-6-11(9-14(13)16)10-4-3-5-12(8-10)17(19)20/h3-9H,2H2,1H3
InChI Key:
ATHJINAANWODPS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.075g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.262g/mol
Monoisotopic Mass:
289.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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