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Home > Boronic Acids > 1704081-44-6
1704081-44-6 | (3-chloro-4-(3-(4-Methylpiperazin-1-yl)propoxy)phenyl)boronic acid
CAS No: 1704081-44-6 Catalog No: AG00ARAF MDL No:MFCD28400432
Product Description
Catalog Number:
AG00ARAF
Chemical Name:
(3-chloro-4-(3-(4-Methylpiperazin-1-yl)propoxy)phenyl)boronic acid
CAS Number:
1704081-44-6
MDL Number:
MFCD28400432
IUPAC Name:
[3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]boronic acid
InChI:
InChI=1S/C14H22BClN2O3/c1-17-6-8-18(9-7-17)5-2-10-21-14-4-3-12(15(19)20)11-13(14)16/h3-4,11,19-20H,2,5-10H2,1H3
InChI Key:
KNBGKBMRGHYRKM-UHFFFAOYSA-N
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.601g/mol
Monoisotopic Mass:
312.141g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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