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Home > Boronic Acids > 1150114-67-2
1150114-67-2 | Carbamic acid, N-(4-boronophenyl)-N-phenyl-, C-(1,1-dimethylethyl) ester
CAS No: 1150114-67-2 Catalog No: AG000FMA MDL No:MFCD12025979
Product Description
Catalog Number:
AG000FMA
Chemical Name:
Carbamic acid, N-(4-boronophenyl)-N-phenyl-, C-(1,1-dimethylethyl) ester
CAS Number:
1150114-67-2
Molecular Formula:
C17H20BNO4
Molecular Weight:
313.1560
MDL Number:
MFCD12025979
IUPAC Name:
[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]boronic acid
InChI:
InChI=1S/C17H20BNO4/c1-17(2,3)23-16(20)19(14-7-5-4-6-8-14)15-11-9-13(10-12-15)18(21)22/h4-12,21-22H,1-3H3
InChI Key:
WLWUPRJBSHHRHU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N(c1ccccc1)C(=O)OC(C)(C)C)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.16g/mol
Monoisotopic Mass:
313.149g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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