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69411-05-8 | 3-Chloro-5-trifluoromethylaniline
CAS No: 69411-05-8 Catalog No: AG003IWE MDL No:MFCD02684210
Product Description
Catalog Number:
AG003IWE
Chemical Name:
3-Chloro-5-trifluoromethylaniline
CAS Number:
69411-05-8
Molecular Formula:
C7H5ClF3N
Molecular Weight:
195.5695
MDL Number:
MFCD02684210
IUPAC Name:
3-chloro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChI Key:
OVENUGPMQDFGLE-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)cc(c1)C(F)(F)F
EC Number:
273-989-1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.006g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.569g/mol
Monoisotopic Mass:
195.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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