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150368-37-9 | Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
CAS No: 150368-37-9 Catalog No: AG001MK1 MDL No:MFCD00798156
Product Description
Catalog Number:
AG001MK1
Chemical Name:
Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
CAS Number:
150368-37-9
Molecular Formula:
C9H9FN2O4
Molecular Weight:
228.1772
MDL Number:
MFCD00798156
IUPAC Name:
ethyl 2-amino-6-fluoro-3-nitrobenzoate
InChI:
InChI=1S/C9H9FN2O4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2,11H2,1H3
InChI Key:
PJSMHOIXOKZIMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)ccc(c1N)[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:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.179g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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