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89291-32-7 | Boronic acid, [2-[1-(dimethylamino)ethyl]phenyl]-, dimethyl ester
CAS No: 89291-32-7 Catalog No: AG0040UT MDL No:
Product Description
Catalog Number:
AG0040UT
Chemical Name:
Boronic acid, [2-[1-(dimethylamino)ethyl]phenyl]-, dimethyl ester
CAS Number:
89291-32-7
Molecular Formula:
C12H20BNO2
Molecular Weight:
221.1037
IUPAC Name:
1-(2-dimethoxyboranylphenyl)-N,N-dimethylethanamine
InChI:
InChI=1S/C12H20BNO2/c1-10(14(2)3)11-8-6-7-9-12(11)13(15-4)16-5/h6-10H,1-5H3
InChI Key:
UGPKKYOURRYWFU-UHFFFAOYSA-N
SMILES:
COB(c1ccccc1C(N(C)C)C)OC
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.159g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.107g/mol
Monoisotopic Mass:
221.159g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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