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130628-75-0 | Isoxazole, 3-(bromomethyl)-5-methyl-
CAS No: 130628-75-0 Catalog No: AG000UPV MDL No:MFCD02677720
Product Description
Catalog Number:
AG000UPV
Chemical Name:
Isoxazole, 3-(bromomethyl)-5-methyl-
CAS Number:
130628-75-0
Molecular Formula:
C5H6BrNO
Molecular Weight:
176.0112
MDL Number:
MFCD02677720
IUPAC Name:
3-(bromomethyl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C5H6BrNO/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChI Key:
ASGJFGPILHALRC-UHFFFAOYSA-N
SMILES:
Cc1cc(no1)CBr
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.963g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.013g/mol
Monoisotopic Mass:
174.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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