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828300-70-5 | 6-Amino-1,2-benzisoxazole
CAS No: 828300-70-5 Catalog No: AG0036EJ MDL No:MFCD06659641
Product Description
Catalog Number:
AG0036EJ
Chemical Name:
6-Amino-1,2-benzisoxazole
CAS Number:
828300-70-5
Molecular Formula:
C7H6N2O
Molecular Weight:
134.1353
MDL Number:
MFCD06659641
IUPAC Name:
1,2-benzoxazol-6-amine
InChI:
InChI=1S/C7H6N2O/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,8H2
InChI Key:
PWLPLUATWXICAC-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)onc2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
134.138g/mol
Monoisotopic Mass:
134.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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