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1260860-32-9 | 1,2-Benzisoxazol-3-amine, 7-bromo-
CAS No: 1260860-32-9 Catalog No: AG000RGX MDL No:MFCD12406138
Product Description
Catalog Number:
AG000RGX
Chemical Name:
1,2-Benzisoxazol-3-amine, 7-bromo-
CAS Number:
1260860-32-9
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD12406138
IUPAC Name:
7-bromo-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C7H5BrN2O/c8-5-3-1-2-4-6(5)11-10-7(4)9/h1-3H,(H2,9,10)
InChI Key:
UVIIPEZSYZNVET-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1onc2N
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.034g/mol
Monoisotopic Mass:
211.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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