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1218790-83-0 | Boronic acid, B-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]-
CAS No: 1218790-83-0 Catalog No: AG0016AA MDL No:MFCD12546614
Product Description
Catalog Number:
AG0016AA
Chemical Name:
Boronic acid, B-[3-[[[(tetrahydro-2-furanyl)methyl]amino]carbonyl]phenyl]-
CAS Number:
1218790-83-0
Molecular Formula:
C12H16BNO4
Molecular Weight:
249.0707
MDL Number:
MFCD12546614
IUPAC Name:
[3-(oxolan-2-ylmethylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1,3-4,7,11,16-17H,2,5-6,8H2,(H,14,15)
InChI Key:
OBHSWJBFUUNHJE-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)NCC1CCCO1
Properties
Complexity:
287
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:
3
Isotope Atom Count:
0
Molecular Weight:
249.073g/mol
Monoisotopic Mass:
249.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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