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Home > Boronic Acids > 199609-62-6
199609-62-6 | Carbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
CAS No: 199609-62-6 Catalog No: AG002C82 MDL No:MFCD06246052
Product Description
Catalog Number:
AG002C82
Chemical Name:
Carbamic acid, N-[(3-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
CAS Number:
199609-62-6
Molecular Formula:
C12H18BNO4
Molecular Weight:
251.0866
MDL Number:
MFCD06246052
IUPAC Name:
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-5-4-6-10(7-9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15)
InChI Key:
YHAQUGOSDQZIMA-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cccc(c1)B(O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
251.089g/mol
Monoisotopic Mass:
251.133g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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