Home Halogens 2-Benzoxazolamine, 4-bromo-

2-Benzoxazolamine, 4-bromo-

CAS No.:
1806340-56-6
Catalog Number:
AG002277
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
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Product Description
Catalog Number:
AG002277
Chemical Name:
2-Benzoxazolamine, 4-bromo-
CAS Number:
1806340-56-6
Molecular Formula:
C7H5BrN2O
Molecular Weight:
213.0314
MDL Number:
MFCD27922613
IUPAC Name:
4-bromo-1,3-benzoxazol-2-amine
InChI:
InChI=1S/C7H5BrN2O/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChI Key:
VDOPLRREAKADRV-UHFFFAOYSA-N
SMILES:
Nc1oc2c(n1)c(Br)ccc2
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  
Properties