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850568-79-5 | tert-Butyl (1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)carbamate
CAS No: 850568-79-5 Catalog No: AG004YHY MDL No:MFCD06659853
Product Description
Catalog Number:
AG004YHY
Chemical Name:
tert-Butyl (1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)carbamate
CAS Number:
850568-79-5
Molecular Formula:
C12H16BNO4
Molecular Weight:
249.0707
MDL Number:
MFCD06659853
IUPAC Name:
tert-butyl N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)carbamate
InChI:
InChI=1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)
InChI Key:
PHTYIDJNPFQYPQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc2c(c1)B(O)OC2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.073g/mol
Monoisotopic Mass:
249.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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