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Home > Boronic Acids > 78887-39-5
78887-39-5 | 3-Acetamidophenylboronic acid
CAS No: 78887-39-5 Catalog No: AG0036MJ MDL No:MFCD00236013
Product Description
Catalog Number:
AG0036MJ
Chemical Name:
3-Acetamidophenylboronic acid
CAS Number:
78887-39-5
Molecular Formula:
C8H10BNO3
Molecular Weight:
178.9809
MDL Number:
MFCD00236013
IUPAC Name:
(3-acetamidophenyl)boronic acid
InChI:
InChI=1S/C8H10BNO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key:
IBTSWKLSEOGJGJ-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)B(O)O
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.982g/mol
Monoisotopic Mass:
179.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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