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872495-62-0 | Borinic acid, [4-(4,5-dihydro-2-oxazolyl)phenyl]ethenyl-
CAS No: 872495-62-0 Catalog No: AG004R23 MDL No:
Product Description
Catalog Number:
AG004R23
Chemical Name:
Borinic acid, [4-(4,5-dihydro-2-oxazolyl)phenyl]ethenyl-
CAS Number:
872495-62-0
Molecular Formula:
C11H12BNO2
Molecular Weight:
201.0295
IUPAC Name:
2-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethenyl-hydroxyboron
InChI:
InChI=1S/C11H11BNO2/c14-12-6-5-9-1-3-10(4-2-9)11-13-7-8-15-11/h1-6,14H,7-8H2
InChI Key:
XIFXSTCDRNRBPJ-UHFFFAOYSA-N
SMILES:
OBC=Cc1ccc(cc1)C1=NCCO1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.024g/mol
Monoisotopic Mass:
200.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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