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902836-38-8 | 4-(4-(4-Chlorophenyl)-1H-pyrazol-1-yl)piperidine
CAS No: 902836-38-8 Catalog No: AG003KL8 MDL No:
Product Description
Catalog Number:
AG003KL8
Chemical Name:
4-(4-(4-Chlorophenyl)-1H-pyrazol-1-yl)piperidine
CAS Number:
902836-38-8
Molecular Formula:
C14H16ClN3
Molecular Weight:
261.7499
IUPAC Name:
4-[4-(4-chlorophenyl)pyrazol-1-yl]piperidine
InChI:
InChI=1S/C14H16ClN3/c15-13-3-1-11(2-4-13)12-9-17-18(10-12)14-5-7-16-8-6-14/h1-4,9-10,14,16H,5-8H2
InChI Key:
QPXZSTSEYCYKLI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cnn(c1)C1CCNCC1
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.753g/mol
Monoisotopic Mass:
261.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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