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Home > Boronic Acids > 871332-75-1
871332-75-1 | (4-Chloro-3-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS No: 871332-75-1 Catalog No: AG004OT1 MDL No:MFCD07783867
Product Description
Catalog Number:
AG004OT1
Chemical Name:
(4-Chloro-3-(pyrrolidine-1-carbonyl);phenyl);boronic acid
CAS Number:
871332-75-1
Molecular Formula:
C11H13BClNO3
Molecular Weight:
253.4898
MDL Number:
MFCD07783867
IUPAC Name:
[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C11H13BClNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
InChI Key:
NSFDJLUUAWITQY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C(=O)N1CCCC1)Cl)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.068g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.489g/mol
Monoisotopic Mass:
253.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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