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1201-02-1 | 2,3,4,5,6-pentafluoro-n-methylaniline
CAS No: 1201-02-1 Catalog No: AG01F5N8 MDL No:
Product Description
Catalog Number:
AG01F5N8
Chemical Name:
2,3,4,5,6-pentafluoro-n-methylaniline
CAS Number:
1201-02-1
Molecular Formula:
C7H4F5N
Molecular Weight:
197.1054
IUPAC Name:
2,3,4,5,6-pentafluoro-N-methylaniline
InChI:
InChI=1S/C7H4F5N/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,1H3
InChI Key:
ZWWAUEAPYBCUMT-UHFFFAOYSA-N
SMILES:
CNc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
162
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:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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