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1150114-73-0 | Boronic acid, B-[4-(dimethylamino)phenyl]-, hydrochloride (1:1)
CAS No: 1150114-73-0 Catalog No: AG000FN6 MDL No:MFCD04112547
Product Description
Catalog Number:
AG000FN6
Chemical Name:
Boronic acid, B-[4-(dimethylamino)phenyl]-, hydrochloride (1:1)
CAS Number:
1150114-73-0
Molecular Formula:
C8H13BClNO2
Molecular Weight:
201.4583
MDL Number:
MFCD04112547
IUPAC Name:
[4-(dimethylamino)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C8H12BNO2.ClH/c1-10(2)8-5-3-7(4-6-8)9(11)12;/h3-6,11-12H,1-2H3;1H
InChI Key:
JZMHULQJOBVQRI-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N(C)C)O.Cl
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
201.457g/mol
Monoisotopic Mass:
201.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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