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Home > Boronic Acids > 1217500-58-7
1217500-58-7 | Carbamic acid, N-[1-(4-boronophenyl)cyclopropyl]-, C-(1,1-dimethylethyl) ester
CAS No: 1217500-58-7 Catalog No: AG0015PA MDL No:MFCD12546458
Product Description
Catalog Number:
AG0015PA
Chemical Name:
Carbamic acid, N-[1-(4-boronophenyl)cyclopropyl]-, C-(1,1-dimethylethyl) ester
CAS Number:
1217500-58-7
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD12546458
IUPAC Name:
[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]phenyl]boronic acid
InChI:
InChI=1S/C14H20BNO4/c1-13(2,3)20-12(17)16-14(8-9-14)10-4-6-11(7-5-10)15(18)19/h4-7,18-19H,8-9H2,1-3H3,(H,16,17)
InChI Key:
VRDOSXBUZHSBKB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C1(CC1)NC(=O)OC(C)(C)C)O
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/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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