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1233518-07-4 | 3-Nitro-4-(trifluoromethyl)phenylacetylene
CAS No: 1233518-07-4 Catalog No: AG01FB6W MDL No:
Product Description
Catalog Number:
AG01FB6W
Chemical Name:
3-Nitro-4-(trifluoromethyl)phenylacetylene
CAS Number:
1233518-07-4
Molecular Formula:
C9H4F3NO2
Molecular Weight:
215.1288
IUPAC Name:
4-ethynyl-2-nitro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H4F3NO2/c1-2-6-3-4-7(9(10,11)12)8(5-6)13(14)15/h1,3-5H
InChI Key:
FNHFCMLPHMNJHL-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
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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