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90185-24-3 | 2-Butenoic acid, 4,4-difluoro-3-[(phenylmethyl)amino]-, ethyl ester
CAS No: 90185-24-3 Catalog No: AG006GIL MDL No:
Product Description
Catalog Number:
AG006GIL
Chemical Name:
2-Butenoic acid, 4,4-difluoro-3-[(phenylmethyl)amino]-, ethyl ester
CAS Number:
90185-24-3
Molecular Formula:
C13H15F2NO2
Molecular Weight:
255.2605
IUPAC Name:
ethyl 3-(benzylamino)-4,4-difluorobut-2-enoate
InChI:
InChI=1S/C13H15F2NO2/c1-2-18-12(17)8-11(13(14)15)16-9-10-6-4-3-5-7-10/h3-8,13,16H,2,9H2,1H3
InChI Key:
KWEDGQPRGQWDIO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C(C(F)F)NCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.107g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.265g/mol
Monoisotopic Mass:
255.107g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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