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397843-69-5

397843-69-5 | 3-(N-Isopropylaminocarbonyl)benzeneboronic acid

CAS No: 397843-69-5 Catalog No: AG0038RF MDL No:MFCD04115690

Product Description

Catalog Number:
AG0038RF
Chemical Name:
3-(N-Isopropylaminocarbonyl)benzeneboronic acid
CAS Number:
397843-69-5
Molecular Formula:
C10H14BNO3
Molecular Weight:
207.0341
MDL Number:
MFCD04115690
IUPAC Name:
[3-(propan-2-ylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO3/c1-7(2)12-10(13)8-4-3-5-9(6-8)11(14)15/h3-7,14-15H,1-2H3,(H,12,13)
InChI Key:
QDCRYXCSQKAWNM-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1cccc(c1)B(O)O)C

Properties

Complexity:
221  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.107g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
207.036g/mol
Monoisotopic Mass:
207.107g/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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