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1263094-02-5 | 2-Amino-5-(trifluoromethoxy)phenylacetylene
CAS No: 1263094-02-5 Catalog No: AG01FAW6 MDL No:
Product Description
Catalog Number:
AG01FAW6
Chemical Name:
2-Amino-5-(trifluoromethoxy)phenylacetylene
CAS Number:
1263094-02-5
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
IUPAC Name:
2-ethynyl-4-(trifluoromethoxy)aniline
InChI:
InChI=1S/C9H6F3NO/c1-2-6-5-7(3-4-8(6)13)14-9(10,11)12/h1,3-5H,13H2
InChI Key:
OCUZSDJPHQPVJK-UHFFFAOYSA-N
SMILES:
C#Cc1cc(ccc1N)OC(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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