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1394839-65-6 | Benzeneacetic acid, 4-amino-α,α,3-trifluoro-, ethyl ester, hydrochloride (1:1)
CAS No: 1394839-65-6 Catalog No: AG001B3T MDL No:
Product Description
Catalog Number:
AG001B3T
Chemical Name:
Benzeneacetic acid, 4-amino-α,α,3-trifluoro-, ethyl ester, hydrochloride (1:1)
CAS Number:
1394839-65-6
Molecular Formula:
C10H11ClF3NO2
Molecular Weight:
269.6480
IUPAC Name:
ethyl 2-(4-amino-3-fluorophenyl)-2,2-difluoroacetate;hydrochloride
InChI:
InChI=1S/C10H10F3NO2.ClH/c1-2-16-9(15)10(12,13)6-3-4-8(14)7(11)5-6;/h3-5H,2,14H2,1H3;1H
InChI Key:
PSFGZYAKLZWULU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(c(c1)F)N)(F)F.Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.648g/mol
Monoisotopic Mass:
269.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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