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Home > Fluorides > 882747-26-4
882747-26-4 | 1,3-dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(prop-2-en-1-yl)propanedioate
CAS No: 882747-26-4 Catalog No: AG00IOHA MDL No:MFCD08064727
Product Description
Catalog Number:
AG00IOHA
Chemical Name:
1,3-dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-(prop-2-en-1-yl)propanedioate
CAS Number:
882747-26-4
Molecular Formula:
C15H14F3NO6
Molecular Weight:
361.2700
MDL Number:
MFCD08064727
IUPAC Name:
dimethyl 2-[2-nitro-5-(trifluoromethyl)phenyl]-2-prop-2-enylpropanedioate
InChI:
InChI=1S/C15H14F3NO6/c1-4-7-14(12(20)24-2,13(21)25-3)10-8-9(15(16,17)18)5-6-11(10)19(22)23/h4-6,8H,1,7H2,2-3H3
InChI Key:
WVQMCEURAPIKOD-UHFFFAOYSA-N
SMILES:
C=CCC(c1cc(ccc1[N+](=O)[O-])C(F)(F)F)(C(=O)OC)C(=O)OC
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.273g/mol
Monoisotopic Mass:
361.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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