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64747-71-3 | Ethyl 4-(Difluoromethyl)benzoate
CAS No: 64747-71-3 Catalog No: AG01FERS MDL No:MFCD09996892
Product Description
Catalog Number:
AG01FERS
Chemical Name:
Ethyl 4-(Difluoromethyl)benzoate
CAS Number:
64747-71-3
Molecular Formula:
C10H10F2O2
Molecular Weight:
200.1820
MDL Number:
MFCD09996892
IUPAC Name:
ethyl 4-(difluoromethyl)benzoate
InChI:
InChI=1S/C10H10F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3
InChI Key:
WISBDSSXPQJMIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(F)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.185g/mol
Monoisotopic Mass:
200.065g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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