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128993-18-0 | 5-Isoxazolemethanol, 3-bromo-4,5-dihydro-, (5R)-
CAS No: 128993-18-0 Catalog No: AG000YQS MDL No:
Product Description
Catalog Number:
AG000YQS
Chemical Name:
5-Isoxazolemethanol, 3-bromo-4,5-dihydro-, (5R)-
CAS Number:
128993-18-0
Molecular Formula:
C4H6BrNO2
Molecular Weight:
179.9999
IUPAC Name:
[(5R)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C4H6BrNO2/c5-4-1-3(2-7)8-6-4/h3,7H,1-2H2/t3-/m1/s1
InChI Key:
WHYBJMZOIKMVCQ-GSVOUGTGSA-N
SMILES:
OC[C@H]1CC(=NO1)Br
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
178.958g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.001g/mol
Monoisotopic Mass:
178.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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