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121873-00-5 | 2-Propenoic acid, 3-(2-chloro-4,5-difluorophenyl)-3-hydroxy-, ethyl ester
CAS No: 121873-00-5 Catalog No: AG00166X MDL No:
Product Description
Catalog Number:
AG00166X
Chemical Name:
2-Propenoic acid, 3-(2-chloro-4,5-difluorophenyl)-3-hydroxy-, ethyl ester
CAS Number:
121873-00-5
Molecular Formula:
C11H9ClF2O3
Molecular Weight:
262.6372
IUPAC Name:
ethyl 3-(2-chloro-4,5-difluorophenyl)-3-hydroxyprop-2-enoate
InChI:
InChI=1S/C11H9ClF2O3/c1-2-17-11(16)5-10(15)6-3-8(13)9(14)4-7(6)12/h3-5,15H,2H2,1H3
InChI Key:
QSOJOUBIFORUMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(c1cc(F)c(cc1Cl)F)O
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.021g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.637g/mol
Monoisotopic Mass:
262.021g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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