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Home > Boronic Acids > 1704064-32-3
1704064-32-3 | 4-Methyl-3-(3-(piperazin-1-yl)propoxy)phenylboronic acid
CAS No: 1704064-32-3 Catalog No: AG00ARPB MDL No:MFCD28384333
Product Description
Catalog Number:
AG00ARPB
Chemical Name:
4-Methyl-3-(3-(piperazin-1-yl)propoxy)phenylboronic acid
CAS Number:
1704064-32-3
Molecular Formula:
C14H23BN2O3
Molecular Weight:
278.1550
MDL Number:
MFCD28384333
IUPAC Name:
[4-methyl-3-(3-piperazin-1-ylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H23BN2O3/c1-12-3-4-13(15(18)19)11-14(12)20-10-2-7-17-8-5-16-6-9-17/h3-4,11,16,18-19H,2,5-10H2,1H3
InChI Key:
ONNKKYPAZMNVQD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)OCCCN1CCNCC1)C)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.18g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.159g/mol
Monoisotopic Mass:
278.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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