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Home > Boronic Acids > 1060661-55-3
1060661-55-3 | (5-Acetamido-2-methylphenyl);boronic acid
CAS No: 1060661-55-3 Catalog No: AG0084GI MDL No:MFCD11053867
Product Description
Catalog Number:
AG0084GI
Chemical Name:
(5-Acetamido-2-methylphenyl);boronic acid
CAS Number:
1060661-55-3
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD11053867
IUPAC Name:
(5-acetamido-2-methylphenyl)boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-6-3-4-8(11-7(2)12)5-9(6)10(13)14/h3-5,13-14H,1-2H3,(H,11,12)
InChI Key:
YJBSHDWYEWWMNT-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)B(O)O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
193.009g/mol
Monoisotopic Mass:
193.091g/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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