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123973-33-1 | Benzenamine, 3,5-difluoro-2-(trifluoromethyl)-
CAS No: 123973-33-1 Catalog No: AG000LAL MDL No:MFCD04972831
Product Description
Catalog Number:
AG000LAL
Chemical Name:
Benzenamine, 3,5-difluoro-2-(trifluoromethyl)-
CAS Number:
123973-33-1
Molecular Formula:
C7H4F5N
Molecular Weight:
197.1054
MDL Number:
MFCD04972831
IUPAC Name:
3,5-difluoro-2-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H4F5N/c8-3-1-4(9)6(5(13)2-3)7(10,11)12/h1-2H,13H2
InChI Key:
IISXXYSSIKCYFQ-UHFFFAOYSA-N
SMILES:
Fc1cc(N)c(c(c1)F)C(F)(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.026g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.108g/mol
Monoisotopic Mass:
197.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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