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872495-59-5 | Borinic acid, cyclopropyl[3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS No: 872495-59-5 Catalog No: AG004J8P MDL No:
Product Description
Catalog Number:
AG004J8P
Chemical Name:
Borinic acid, cyclopropyl[3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenyl]-
CAS Number:
872495-59-5
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
IUPAC Name:
cyclopropyl-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]borinic acid
InChI:
InChI=1S/C14H18BNO2/c1-14(2)9-18-13(16-14)10-4-3-5-12(8-10)15(17)11-6-7-11/h3-5,8,11,17H,6-7,9H2,1-2H3
InChI Key:
QLLRYCUNIPQFKV-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)C1=NC(CO1)(C)C)C1CC1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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