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Home > Boronic Acids > 374927-12-5
374927-12-5 | Boronic acid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- (9CI)
CAS No: 374927-12-5 Catalog No: AG00CQV0 MDL No:MFCD18827143
Product Description
Catalog Number:
AG00CQV0
Chemical Name:
Boronic acid, [4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]- (9CI)
CAS Number:
374927-12-5
Molecular Formula:
C12H17BN2O3
Molecular Weight:
248.0860
MDL Number:
MFCD18827143
IUPAC Name:
[4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H17BN2O3/c1-14-6-8-15(9-7-14)12(16)10-2-4-11(5-3-10)13(17)18/h2-5,17-18H,6-9H2,1H3
InChI Key:
ILNVLRZFTJYYCF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N1CCN(CC1)C)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.133g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.089g/mol
Monoisotopic Mass:
248.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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