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84163-64-4 | 1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-
CAS No: 84163-64-4 Catalog No: AG004SGW MDL No:MFCD06200879
Product Description
Catalog Number:
AG004SGW
Chemical Name:
1,2-Benzisoxazole,5-fluoro-3-(4-piperidinyl)-
CAS Number:
84163-64-4
Molecular Formula:
C12H13FN2O
Molecular Weight:
220.2428
MDL Number:
MFCD06200879
IUPAC Name:
5-fluoro-3-piperidin-4-yl-1,2-benzoxazole
InChI:
InChI=1S/C12H13FN2O/c13-9-1-2-11-10(7-9)12(15-16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChI Key:
GGRZCCWFABLKCX-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(no2)C1CCNCC1
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.247g/mol
Monoisotopic Mass:
220.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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