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710-74-7 | Benzenamine, 3-(pentafluoroethyl)-
CAS No: 710-74-7 Catalog No: AG005ES1 MDL No:MFCD12196928
Product Description
Catalog Number:
AG005ES1
Chemical Name:
Benzenamine, 3-(pentafluoroethyl)-
CAS Number:
710-74-7
Molecular Formula:
C8H6F5N
Molecular Weight:
211.1320
MDL Number:
MFCD12196928
IUPAC Name:
3-(1,1,2,2,2-pentafluoroethyl)aniline
InChI:
InChI=1S/C8H6F5N/c9-7(10,8(11,12)13)5-2-1-3-6(14)4-5/h1-4H,14H2
InChI Key:
ABJVXSCTJMFIEM-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(C(F)(F)F)(F)F
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.135g/mol
Monoisotopic Mass:
211.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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