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Home > Fluorides > 1314937-26-2
1314937-26-2 | 1,2-Benzisoxazole-3-carbonitrile, 6-fluoro-
CAS No: 1314937-26-2 Catalog No: AG000WBF MDL No:
Product Description
Catalog Number:
AG000WBF
Chemical Name:
1,2-Benzisoxazole-3-carbonitrile, 6-fluoro-
CAS Number:
1314937-26-2
Molecular Formula:
C8H3FN2O
Molecular Weight:
162.1206
IUPAC Name:
6-fluoro-1,2-benzoxazole-3-carbonitrile
InChI:
InChI=1S/C8H3FN2O/c9-5-1-2-6-7(4-10)11-12-8(6)3-5/h1-3H
InChI Key:
XIWUKJXOIRRFON-UHFFFAOYSA-N
SMILES:
N#Cc1noc2c1ccc(c2)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.123g/mol
Monoisotopic Mass:
162.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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