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Home > Fluorides > 872141-24-7
872141-24-7 | Dimethyl 2-(3-fluoro-2-nitrophenyl);malonate
CAS No: 872141-24-7 Catalog No: AG004RQ3 MDL No:MFCD20441782
Product Description
Catalog Number:
AG004RQ3
Chemical Name:
Dimethyl 2-(3-fluoro-2-nitrophenyl);malonate
CAS Number:
872141-24-7
Molecular Formula:
C11H10FNO6
Molecular Weight:
271.1986
MDL Number:
MFCD20441782
IUPAC Name:
dimethyl 2-(3-fluoro-2-nitrophenyl)propanedioate
InChI:
InChI=1S/C11H10FNO6/c1-18-10(14)8(11(15)19-2)6-4-3-5-7(12)9(6)13(16)17/h3-5,8H,1-2H3
InChI Key:
OGJCUSFTJIEQRF-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1cccc(c1[N+](=O)[O-])F)C(=O)OC
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.2g/mol
Monoisotopic Mass:
271.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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