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Home > Boronic Acids > 1313761-13-5
1313761-13-5 | (3-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS No: 1313761-13-5 Catalog No: AG01ARII MDL No:MFCD11183188
Product Description
Catalog Number:
AG01ARII
Chemical Name:
(3-[2-(PYRROLIDIN-1-YL)ETHOXY]PHENYL)BORONIC ACID
CAS Number:
1313761-13-5
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD11183188
IUPAC Name:
[3-(2-pyrrolidin-1-ylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c15-13(16)11-4-3-5-12(10-11)17-9-8-14-6-1-2-7-14/h3-5,10,15-16H,1-2,6-9H2
InChI Key:
ZWMBYUHJNFHLKO-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCCN1CCCC1)O
Properties
Complexity:
222
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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