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Home > Boronic Acids > 226396-30-1
226396-30-1 | 4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYLBORON&
CAS No: 226396-30-1 Catalog No: AG00BH1T MDL No:MFCD09743125
Product Description
Catalog Number:
AG00BH1T
Chemical Name:
4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYLBORON&
CAS Number:
226396-30-1
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD09743125
IUPAC Name:
[4-(2-pyrrolidin-1-ylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c15-13(16)11-3-5-12(6-4-11)17-10-9-14-7-1-2-8-14/h3-6,15-16H,1-2,7-10H2
InChI Key:
CUQZAOZUFZWFPM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCN1CCCC1)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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