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1021063-40-0 | 2,3,4-Trifluoro-N-methylaniline
CAS No: 1021063-40-0 Catalog No: AG01FES9 MDL No:
Product Description
Catalog Number:
AG01FES9
Chemical Name:
2,3,4-Trifluoro-N-methylaniline
CAS Number:
1021063-40-0
Molecular Formula:
C7H6F3N
Molecular Weight:
161.1244
IUPAC Name:
2,3,4-trifluoro-N-methylaniline
InChI:
InChI=1S/C7H6F3N/c1-11-5-3-2-4(8)6(9)7(5)10/h2-3,11H,1H3
InChI Key:
XTUWTPWTMLHWQF-UHFFFAOYSA-N
SMILES:
CNc1ccc(c(c1F)F)F
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.045g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.127g/mol
Monoisotopic Mass:
161.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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