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Home > Boronic Acids > 874459-85-5
874459-85-5 | 2-(MethylcarbaMoyl)benzeneboronic acid, 98%
CAS No: 874459-85-5 Catalog No: AG00H1OV MDL No:MFCD22190724
Product Description
Catalog Number:
AG00H1OV
Chemical Name:
2-(MethylcarbaMoyl)benzeneboronic acid, 98%
CAS Number:
874459-85-5
Molecular Formula:
C8H10BNO3
Molecular Weight:
178.9809
MDL Number:
MFCD22190724
IUPAC Name:
[2-(methylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BNO3/c1-10-8(11)6-4-2-3-5-7(6)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key:
AXWDCOSDMJAMOB-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccccc1B(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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