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Home > Bromides > 1263178-34-2
1263178-34-2 | 1,2-Benzisoxazole, 3-bromo-
CAS No: 1263178-34-2 Catalog No: AG000SJE MDL No:MFCD18792895
Product Description
Catalog Number:
AG000SJE
Chemical Name:
1,2-Benzisoxazole, 3-bromo-
CAS Number:
1263178-34-2
Molecular Formula:
C7H4BrNO
Molecular Weight:
198.0168
MDL Number:
MFCD18792895
IUPAC Name:
3-bromo-1,2-benzoxazole
InChI:
InChI=1S/C7H4BrNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChI Key:
NCIYIIPYKCJIPS-UHFFFAOYSA-N
SMILES:
Brc1noc2c1cccc2
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:
2.7
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