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127842-71-1 | 2-Propenoic acid, 3-[2-(difluoromethoxy)phenyl]-, (E)- (9CI)
CAS No: 127842-71-1 Catalog No: AG000XH7 MDL No:MFCD03419433
Product Description
Catalog Number:
AG000XH7
Chemical Name:
2-Propenoic acid, 3-[2-(difluoromethoxy)phenyl]-, (E)- (9CI)
CAS Number:
127842-71-1
Molecular Formula:
C10H8F2O3
Molecular Weight:
214.1655
MDL Number:
MFCD03419433
IUPAC Name:
(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
InChI:
InChI=1S/C10H8F2O3/c11-10(12)15-8-4-2-1-3-7(8)5-6-9(13)14/h1-6,10H,(H,13,14)/b6-5+
InChI Key:
KLWSPVZYBMMDBR-AATRIKPKSA-N
SMILES:
FC(Oc1ccccc1/C=C/C(=O)O)F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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