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14685-23-5 | 2-Propenoic acid, 2,3-difluoro-3-(4-nitrophenyl)-
CAS No: 14685-23-5 Catalog No: AG001EE1 MDL No:
Product Description
Catalog Number:
AG001EE1
Chemical Name:
2-Propenoic acid, 2,3-difluoro-3-(4-nitrophenyl)-
CAS Number:
14685-23-5
Molecular Formula:
C9H5F2NO4
Molecular Weight:
229.1371
IUPAC Name:
2,3-difluoro-3-(4-nitrophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H5F2NO4/c10-7(8(11)9(13)14)5-1-3-6(4-2-5)12(15)16/h1-4H,(H,13,14)
InChI Key:
YXBRIQJRDSOATO-UHFFFAOYSA-N
SMILES:
OC(=O)C(=C(c1ccc(cc1)[N+](=O)[O-])F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.139g/mol
Monoisotopic Mass:
229.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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