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1243313-45-2 | 1,2-Benzisoxazol-5-amine, 6-fluoro-3-methyl-, hydrochloride (1:1)
CAS No: 1243313-45-2 Catalog No: AG000LUZ MDL No:
Product Description
Catalog Number:
AG000LUZ
Chemical Name:
1,2-Benzisoxazol-5-amine, 6-fluoro-3-methyl-, hydrochloride (1:1)
CAS Number:
1243313-45-2
Molecular Formula:
C8H8ClFN2O
Molecular Weight:
202.6133
IUPAC Name:
6-fluoro-3-methyl-1,2-benzoxazol-5-amine;hydrochloride
InChI:
InChI=1S/C8H7FN2O.ClH/c1-4-5-2-7(10)6(9)3-8(5)12-11-4;/h2-3H,10H2,1H3;1H
InChI Key:
RRBILJQVBLPSBF-UHFFFAOYSA-N
SMILES:
Fc1cc2onc(c2cc1N)C.Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.613g/mol
Monoisotopic Mass:
202.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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