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261763-07-9 | Benzenemethanamine, 3-chloro-2-fluoro-5-(trifluoromethyl)-
CAS No: 261763-07-9 Catalog No: AG002S1N MDL No:MFCD01631401
Product Description
Catalog Number:
AG002S1N
Chemical Name:
Benzenemethanamine, 3-chloro-2-fluoro-5-(trifluoromethyl)-
CAS Number:
261763-07-9
Molecular Formula:
C8H6ClF4N
Molecular Weight:
227.5866
MDL Number:
MFCD01631401
IUPAC Name:
[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C8H6ClF4N/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-2H,3,14H2
InChI Key:
IMINUBYBSZMWRS-UHFFFAOYSA-N
SMILES:
NCc1cc(cc(c1F)Cl)C(F)(F)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.587g/mol
Monoisotopic Mass:
227.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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