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35962-11-9 | 4-(4-BROMO-PHENYL)-3H-OXAZOL-2-ONE
CAS No: 35962-11-9 Catalog No: AG01EL8R MDL No:MFCD25962701
Product Description
Catalog Number:
AG01EL8R
Chemical Name:
4-(4-BROMO-PHENYL)-3H-OXAZOL-2-ONE
CAS Number:
35962-11-9
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD25962701
IUPAC Name:
4-(4-bromophenyl)-3H-1,3-oxazol-2-one
InChI:
InChI=1S/C9H6BrNO2/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChI Key:
OHZYIXHKAQQQQS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1coc(=O)[nH]1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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