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796969-15-8 | 4-Bromobenzo[d]isoxazol-3-amine
CAS No: 796969-15-8 Catalog No: AG005IMI MDL No:MFCD11845370
Product Description
Catalog Number:
AG005IMI
Chemical Name:
4-Bromobenzo[d]isoxazol-3-amine
CAS Number:
796969-15-8
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD11845370
IUPAC Name:
4-bromo-1,2-benzoxazol-3-amine
InChI:
InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)7(9)10-11-5/h1-3H,(H2,9,10)
InChI Key:
SYCUVFGUHBRMHZ-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1c(N)no2
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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