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105219-43-0 | 3,5-Difluoro-4-methoxycinnamic acid
CAS No: 105219-43-0 Catalog No: AG01FDPG MDL No:
Product Description
Catalog Number:
AG01FDPG
Chemical Name:
3,5-Difluoro-4-methoxycinnamic acid
CAS Number:
105219-43-0
Molecular Formula:
C10H8F2O3
Molecular Weight:
214.1655
IUPAC Name:
3-(3,5-difluoro-4-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8F2O3/c1-15-10-7(11)4-6(5-8(10)12)2-3-9(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
DETUIHJOEHNQBZ-UHFFFAOYSA-N
SMILES:
COc1c(F)cc(cc1F)/C=C/C(=O)O
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.168g/mol
Monoisotopic Mass:
214.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
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