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Home > Bromides > 1260751-81-2
1260751-81-2 | 1,2-Benzisoxazole, 7-bromo-
CAS No: 1260751-81-2 Catalog No: AG000R3T MDL No:MFCD11520894
Product Description
Catalog Number:
AG000R3T
Chemical Name:
1,2-Benzisoxazole, 7-bromo-
CAS Number:
1260751-81-2
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD11520894
IUPAC Name:
7-bromo-1,2-benzoxazole
InChI:
InChI=1S/C7H4BrNO/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H
InChI Key:
VPBZAQSRLLWRSX-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1onc2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.948g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.019g/mol
Monoisotopic Mass:
196.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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