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Home > Boronic Acids > 850568-42-2
850568-42-2 | (3-(Acetamidomethyl)phenyl)boronic acid
CAS No: 850568-42-2 Catalog No: AG004Z7M MDL No:MFCD06659819
Product Description
Catalog Number:
AG004Z7M
Chemical Name:
(3-(Acetamidomethyl)phenyl)boronic acid
CAS Number:
850568-42-2
Molecular Formula:
C9H12BNO3
Molecular Weight:
193.0075
MDL Number:
MFCD06659819
IUPAC Name:
[3-(acetamidomethyl)phenyl]boronic acid
InChI:
InChI=1S/C9H12BNO3/c1-7(12)11-6-8-3-2-4-9(5-8)10(13)14/h2-5,13-14H,6H2,1H3,(H,11,12)
InChI Key:
IXRGNMIMGAJHEG-UHFFFAOYSA-N
SMILES:
CC(=O)NCc1cccc(c1)B(O)O
Properties
Complexity:
199
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:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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