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902836-42-4 | 4-[4-(2-Chlorophenyl)-1H-pyrazol-1-yl]piperidine
CAS No: 902836-42-4 Catalog No: AG003KL7 MDL No:MFCD08060999
Product Description
Catalog Number:
AG003KL7
Chemical Name:
4-[4-(2-Chlorophenyl)-1H-pyrazol-1-yl]piperidine
CAS Number:
902836-42-4
Molecular Formula:
C14H16ClN3
Molecular Weight:
261.7499
MDL Number:
MFCD08060999
IUPAC Name:
4-[4-(2-chlorophenyl)pyrazol-1-yl]piperidine
InChI:
InChI=1S/C14H16ClN3/c15-14-4-2-1-3-13(14)11-9-17-18(10-11)12-5-7-16-8-6-12/h1-4,9-10,12,16H,5-8H2
InChI Key:
RRRIXLCXVVGUTG-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1cnn(c1)C1CCNCC1
Properties
Complexity:
268
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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