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811799-69-6 | 1-(4-Amino-3,5-difluorophenyl)ethanone
CAS No: 811799-69-6 Catalog No: AG004ZHK MDL No:MFCD08460502
Product Description
Catalog Number:
AG004ZHK
Chemical Name:
1-(4-Amino-3,5-difluorophenyl)ethanone
CAS Number:
811799-69-6
Molecular Formula:
C8H7F2NO
Molecular Weight:
171.1441
MDL Number:
MFCD08460502
IUPAC Name:
1-(4-amino-3,5-difluorophenyl)ethanone
InChI:
InChI=1S/C8H7F2NO/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,11H2,1H3
InChI Key:
MLPXEMBDRBECQR-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(c(c1)F)N
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.147g/mol
Monoisotopic Mass:
171.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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