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1353001-74-7 | 4-Chloro-2-fluoro-3-methoxycinnamic acid
CAS No: 1353001-74-7 Catalog No: AG01FBYX MDL No:
Product Description
Catalog Number:
AG01FBYX
Chemical Name:
4-Chloro-2-fluoro-3-methoxycinnamic acid
CAS Number:
1353001-74-7
Molecular Formula:
C10H8ClFO3
Molecular Weight:
230.6201
IUPAC Name:
3-(4-chloro-2-fluoro-3-methoxyphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8ClFO3/c1-15-10-7(11)4-2-6(9(10)12)3-5-8(13)14/h2-5H,1H3,(H,13,14)
InChI Key:
RBQIGCSSGNRGJR-UHFFFAOYSA-N
SMILES:
COc1c(F)c(/C=C/C(=O)O)ccc1Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.619g/mol
Monoisotopic Mass:
230.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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