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206055-91-6 | 5-Isoxazolemethanol, 3-(4-bromophenyl)-
CAS No: 206055-91-6 Catalog No: AG002AHZ MDL No:MFCD06656791
Product Description
Catalog Number:
AG002AHZ
Chemical Name:
5-Isoxazolemethanol, 3-(4-bromophenyl)-
CAS Number:
206055-91-6
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD06656791
IUPAC Name:
[3-(4-bromophenyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C10H8BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-5,13H,6H2
InChI Key:
CBTFIJPSRUYXHW-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)c1ccc(cc1)Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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