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28611-39-4 | Boronic acid, B-[4-(dimethylamino)phenyl]-
CAS No: 28611-39-4 Catalog No: AG002VUT MDL No:MFCD01074642
Product Description
Catalog Number:
AG002VUT
Chemical Name:
Boronic acid, B-[4-(dimethylamino)phenyl]-
CAS Number:
28611-39-4
Molecular Formula:
C8H12BNO2
Molecular Weight:
164.9974
MDL Number:
MFCD01074642
IUPAC Name:
[4-(dimethylamino)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key:
RIIPFHVHLXPMHQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N(C)C)O
Properties
Complexity:
133
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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