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Home > Fluorides > 918307-33-2
918307-33-2 | 2-Propenoic acid, 3-(4-nitrophenyl)-2-(trifluoromethyl)-, methyl ester
CAS No: 918307-33-2 Catalog No: AG006GG8 MDL No:
Product Description
Catalog Number:
AG006GG8
Chemical Name:
2-Propenoic acid, 3-(4-nitrophenyl)-2-(trifluoromethyl)-, methyl ester
CAS Number:
918307-33-2
Molecular Formula:
C11H8F3NO4
Molecular Weight:
275.1807
IUPAC Name:
methyl 3-(4-nitrophenyl)-2-(trifluoromethyl)prop-2-enoate
InChI:
InChI=1S/C11H8F3NO4/c1-19-10(16)9(11(12,13)14)6-7-2-4-8(5-3-7)15(17)18/h2-6H,1H3
InChI Key:
ZWCUUIBUNCIKDM-UHFFFAOYSA-N
SMILES:
COC(=O)C(=Cc1ccc(cc1)[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.183g/mol
Monoisotopic Mass:
275.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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