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Home > Boronic Acids > 850567-22-5
850567-22-5 | 3-(Propylcarbamoyl)phenylboronic acid
CAS No: 850567-22-5 Catalog No: AG0036DJ MDL No:MFCD04038919
Product Description
Catalog Number:
AG0036DJ
Chemical Name:
3-(Propylcarbamoyl)phenylboronic acid
CAS Number:
850567-22-5
Molecular Formula:
C10H14BNO3
Molecular Weight:
207.0341
MDL Number:
MFCD04038919
IUPAC Name:
[3-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H14BNO3/c1-2-6-12-10(13)8-4-3-5-9(7-8)11(14)15/h3-5,7,14-15H,2,6H2,1H3,(H,12,13)
InChI Key:
DZGOREURDIPFFZ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cccc(c1)B(O)O
Properties
Complexity:
211
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:
4
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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