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37924-86-0 | 3-(bromomethyl)-5-methylbenzo[d]isoxazole
CAS No: 37924-86-0 Catalog No: AG01FLS0 MDL No:MFCD16991084
Product Description
Catalog Number:
AG01FLS0
Chemical Name:
3-(bromomethyl)-5-methylbenzo[d]isoxazole
CAS Number:
37924-86-0
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD16991084
IUPAC Name:
3-(bromomethyl)-5-methyl-1,2-benzoxazole
InChI:
InChI=1S/C9H8BrNO/c1-6-2-3-9-7(4-6)8(5-10)11-12-9/h2-4H,5H2,1H3
InChI Key:
OFHLKSCGAKEBIP-UHFFFAOYSA-N
SMILES:
Cc1cc2c(CBr)noc2cc1
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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