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Home > Boronic Acids > 1100095-09-7

1100095-09-7

1100095-09-7 | (3-(pyrrolidin-1-ylMethyl)phenyl)boronic acid

CAS No: 1100095-09-7 Catalog No: AG0095HT MDL No:MFCD08060616

Product Description

Catalog Number:
AG0095HT
Chemical Name:
(3-(pyrrolidin-1-ylMethyl)phenyl)boronic acid
CAS Number:
1100095-09-7
Molecular Formula:
C11H16BNO2
Molecular Weight:
205.0612
MDL Number:
MFCD08060616
IUPAC Name:
[3-(pyrrolidin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO2/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13/h3-5,8,14-15H,1-2,6-7,9H2
InChI Key:
JRGCMBMTOLSYTF-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CN1CCCC1)O

Properties

Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.127g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
205.064g/mol
Monoisotopic Mass:
205.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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