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Home > Boronic Acids > 850567-24-7
850567-24-7 | (3-(Cyclopentylcarbamoyl)phenyl)boronic acid
CAS No: 850567-24-7 Catalog No: AG008GTT MDL No:MFCD04115695
Product Description
Catalog Number:
AG008GTT
Chemical Name:
(3-(Cyclopentylcarbamoyl)phenyl)boronic acid
CAS Number:
850567-24-7
Molecular Formula:
C12H16BNO3
Molecular Weight:
233.0713
MDL Number:
MFCD04115695
IUPAC Name:
[3-(cyclopentylcarbamoyl)phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO3/c15-12(14-11-6-1-2-7-11)9-4-3-5-10(8-9)13(16)17/h3-5,8,11,16-17H,1-2,6-7H2,(H,14,15)
InChI Key:
KIOBFDGZJVJNBP-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)NC1CCCC1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.074g/mol
Monoisotopic Mass:
233.122g/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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