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20011-09-0 | Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-
CAS No: 20011-09-0 Catalog No: AG002CJ4 MDL No:
Product Description
Catalog Number:
AG002CJ4
Chemical Name:
Benzenemethanol, 2-chloro-4-(4-methyl-1-piperazinyl)-
CAS Number:
20011-09-0
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
IUPAC Name:
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanol
InChI:
InChI=1S/C12H17ClN2O/c1-14-4-6-15(7-5-14)11-3-2-10(9-16)12(13)8-11/h2-3,8,16H,4-7,9H2,1H3
InChI Key:
RFLGWGYGUGNXQT-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1Cl)N1CCN(CC1)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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