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89291-23-6 | 2-(Dimethylamine)phenylboronic acid
CAS No: 89291-23-6 Catalog No: AG0040UV MDL No:MFCD01318997
Product Description
Catalog Number:
AG0040UV
Chemical Name:
2-(Dimethylamine)phenylboronic acid
CAS Number:
89291-23-6
Molecular Formula:
C8H12BNO2
Molecular Weight:
164.9974
MDL Number:
MFCD01318997
IUPAC Name:
[2-(dimethylamino)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO2/c1-10(2)8-6-4-3-5-7(8)9(11)12/h3-6,11-12H,1-2H3
InChI Key:
NLTUDNKQUJVGKP-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1B(O)O)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.096g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.999g/mol
Monoisotopic Mass:
165.096g/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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