Home Other Building Blocks (4-fluoro-1,3-benzoxazol-2-yl)methanamine, trifluoroacetic acid

(4-fluoro-1,3-benzoxazol-2-yl)methanamine, trifluoroacetic acid

CAS No.:
2138550-08-8
Catalog Number:
AG01EI7U
Molecular Formula:
C10H8F4N2O3
Molecular Weight:
280.1757
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Product Description
Catalog Number:
AG01EI7U
Chemical Name:
(4-fluoro-1,3-benzoxazol-2-yl)methanamine, trifluoroacetic acid
CAS Number:
2138550-08-8
Molecular Formula:
C10H8F4N2O3
Molecular Weight:
280.1757
MDL Number:
MFCD31559239
IUPAC Name:
(4-fluoro-1,3-benzoxazol-2-yl)methanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H7FN2O.C2HF3O2/c9-5-2-1-3-6-8(5)11-7(4-10)12-6;3-2(4,5)1(6)7/h1-3H,4,10H2;(H,6,7)
InChI Key:
PDNAVYVYHPKFIE-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCc1oc2c(n1)c(F)ccc2
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
280.179g/mol
Monoisotopic Mass:
280.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties