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261762-89-4 | 2-Propenoic acid, 3-(2-chloro-6-fluoro-3-methylphenyl)-
CAS No: 261762-89-4 Catalog No: AG002S22 MDL No:MFCD01631396
Product Description
Catalog Number:
AG002S22
Chemical Name:
2-Propenoic acid, 3-(2-chloro-6-fluoro-3-methylphenyl)-
CAS Number:
261762-89-4
Molecular Formula:
C10H8ClFO2
Molecular Weight:
214.6207
MDL Number:
MFCD01631396
IUPAC Name:
(E)-3-(2-chloro-6-fluoro-3-methylphenyl)prop-2-enoic acid
InChI:
InChI=1S/C10H8ClFO2/c1-6-2-4-8(12)7(10(6)11)3-5-9(13)14/h2-5H,1H3,(H,13,14)/b5-3+
InChI Key:
XURAOUQFLKLYBV-HWKANZROSA-N
SMILES:
OC(=O)C=Cc1c(F)ccc(c1Cl)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
214.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.62g/mol
Monoisotopic Mass:
214.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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