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123950-46-9 | Benzenamine, 2,3-difluoro-4-(trifluoromethyl)-
CAS No: 123950-46-9 Catalog No: AG000LA5 MDL No:MFCD00236206
Product Description
Catalog Number:
AG000LA5
Chemical Name:
Benzenamine, 2,3-difluoro-4-(trifluoromethyl)-
CAS Number:
123950-46-9
Molecular Formula:
C7H4F5N
Molecular Weight:
197.1054
MDL Number:
MFCD00236206
IUPAC Name:
2,3-difluoro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H4F5N/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2H,13H2
InChI Key:
RRTVKWPCWJVMGM-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1F)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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