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66033-69-0 | 6-Bromo-3-methylbenzo[d]isoxazole
CAS No: 66033-69-0 Catalog No: AG0036U2 MDL No:MFCD07778388
Product Description
Catalog Number:
AG0036U2
Chemical Name:
6-Bromo-3-methylbenzo[d]isoxazole
CAS Number:
66033-69-0
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD07778388
IUPAC Name:
6-bromo-3-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H6BrNO/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3
InChI Key:
LSPSVCJKVFCWHE-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)onc2C
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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