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Home > Boronic Acids > 1704080-40-9
1704080-40-9 | (4-chloro-3-(4-(2-hydroxyethyl)piperazine-1-carbonyl)phenyl)boronic acid
CAS No: 1704080-40-9 Catalog No: AG00ARE0 MDL No:MFCD28400403
Product Description
Catalog Number:
AG00ARE0
Chemical Name:
(4-chloro-3-(4-(2-hydroxyethyl)piperazine-1-carbonyl)phenyl)boronic acid
CAS Number:
1704080-40-9
MDL Number:
MFCD28400403
IUPAC Name:
[4-chloro-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]boronic acid
InChI:
InChI=1S/C13H18BClN2O4/c15-12-2-1-10(14(20)21)9-11(12)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18,20-21H,3-8H2
InChI Key:
CNRJIXSZZKZAKC-UHFFFAOYSA-N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.105g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.557g/mol
Monoisotopic Mass:
312.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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