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1233513-10-4 | 4-Nitro-3-(trifluoromethyl)phenylacetylene
CAS No: 1233513-10-4 Catalog No: AG01F39J MDL No:
Product Description
Catalog Number:
AG01F39J
Chemical Name:
4-Nitro-3-(trifluoromethyl)phenylacetylene
CAS Number:
1233513-10-4
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
IUPAC Name:
4-ethynyl-1-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H4F3NO2/c1-2-6-3-4-8(13(14)15)7(5-6)9(10,11)12/h1,3-5H
InChI Key:
JXHWOEBVOMUFEP-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.131g/mol
Monoisotopic Mass:
215.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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