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Home > Fluorides > 1265623-60-6
1265623-60-6 | Benzene, 2-ethynyl-4-fluoro-1-nitro-
CAS No: 1265623-60-6 Catalog No: AG000SXS MDL No:MFCD27996861
Product Description
Catalog Number:
AG000SXS
Chemical Name:
Benzene, 2-ethynyl-4-fluoro-1-nitro-
CAS Number:
1265623-60-6
Molecular Formula:
C8H4FNO2
Molecular Weight:
165.1213
MDL Number:
MFCD27996861
IUPAC Name:
2-ethynyl-4-fluoro-1-nitrobenzene
InChI:
InChI=1S/C8H4FNO2/c1-2-6-5-7(9)3-4-8(6)10(11)12/h1,3-5H
InChI Key:
BKDGUUZBJLNTOO-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)ccc1[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.123g/mol
Monoisotopic Mass:
165.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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