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763120-63-4

763120-63-4 | 4-(PIPERAZIN-1-YLMETHYL)PHENYLBORONIC ACID

CAS No: 763120-63-4 Catalog No: AG01ATE1 MDL No:MFCD18459089

Product Description

Catalog Number:
AG01ATE1
Chemical Name:
4-(PIPERAZIN-1-YLMETHYL)PHENYLBORONIC ACID
CAS Number:
763120-63-4
Molecular Formula:
C11H17BN2O2
Molecular Weight:
220.0759
MDL Number:
MFCD18459089
IUPAC Name:
[4-(piperazin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C11H17BN2O2/c15-12(16)11-3-1-10(2-4-11)9-14-7-5-13-6-8-14/h1-4,13,15-16H,5-9H2
InChI Key:
MXWIZZUTFZHLIB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCNCC1)O

Properties

Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.138g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
220.079g/mol
Monoisotopic Mass:
220.138g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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