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1217500-85-0 | Carbamic acid, N-[(4-amino-2-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
CAS No: 1217500-85-0 Catalog No: AG0015QO MDL No:MFCD12546497
Product Description
Catalog Number:
AG0015QO
Chemical Name:
Carbamic acid, N-[(4-amino-2-boronophenyl)methyl]-, C-(1,1-dimethylethyl) ester
CAS Number:
1217500-85-0
Molecular Formula:
C12H19BN2O4
Molecular Weight:
266.1013
MDL Number:
MFCD12546497
IUPAC Name:
[5-amino-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H19BN2O4/c1-12(2,3)19-11(16)15-7-8-4-5-9(14)6-10(8)13(17)18/h4-6,17-18H,7,14H2,1-3H3,(H,15,16)
InChI Key:
HHFWXUSZRNSYRM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1ccc(cc1B(O)O)N
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.144g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
266.104g/mol
Monoisotopic Mass:
266.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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