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Home > Boronic Acids > 871332-93-3
871332-93-3 | (4-Chloro-3-(propylcarbamoyl)phenyl)boronic acid
CAS No: 871332-93-3 Catalog No: AG0038E1 MDL No:MFCD07783885
Product Description
Catalog Number:
AG0038E1
Chemical Name:
(4-Chloro-3-(propylcarbamoyl)phenyl)boronic acid
CAS Number:
871332-93-3
Molecular Formula:
C10H13BClNO3
Molecular Weight:
241.4791
MDL Number:
MFCD07783885
IUPAC Name:
[4-chloro-3-(propylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C10H13BClNO3/c1-2-5-13-10(14)8-6-7(11(15)16)3-4-9(8)12/h3-4,6,15-16H,2,5H2,1H3,(H,13,14)
InChI Key:
XLTPPRMTVOUDFG-UHFFFAOYSA-N
SMILES:
CCCNC(=O)c1cc(ccc1Cl)B(O)O
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.478g/mol
Monoisotopic Mass:
241.068g/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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