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HE-CHEMICAL 0360405

CAS No.:
1805524-41-7
Catalog Number:
AG01DYZD
Molecular Formula:
C7H4ClF4N
Molecular Weight:
213.5600
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Product Description
Catalog Number:
AG01DYZD
Chemical Name:
HE-CHEMICAL 0360405
CAS Number:
1805524-41-7
Molecular Formula:
C7H4ClF4N
Molecular Weight:
213.5600
MDL Number:
MFCD28752563
IUPAC Name:
4-chloro-2-fluoro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H4ClF4N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
InChI Key:
FTWJRPLRTPYTJN-UHFFFAOYSA-N
SMILES:
Fc1cc(Cl)c(cc1N)C(F)(F)F
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.997g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.56g/mol
Monoisotopic Mass:
212.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties