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Home > Fluorides > 1154279-29-4
1154279-29-4 | Benzoic acid, 2,5-difluoro-3-nitro-, ethyl ester
CAS No: 1154279-29-4 Catalog No: AG000FZI MDL No:
Product Description
Catalog Number:
AG000FZI
Chemical Name:
Benzoic acid, 2,5-difluoro-3-nitro-, ethyl ester
CAS Number:
1154279-29-4
Molecular Formula:
C9H7F2NO4
Molecular Weight:
231.1530
IUPAC Name:
ethyl 2,5-difluoro-3-nitrobenzoate
InChI:
InChI=1S/C9H7F2NO4/c1-2-16-9(13)6-3-5(10)4-7(8(6)11)12(14)15/h3-4H,2H2,1H3
InChI Key:
WRYSDPSFQVAXCM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)cc(c1F)[N+](=O)[O-]
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.155g/mol
Monoisotopic Mass:
231.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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