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796600-51-6 | Benzonitrile, 2-chloro-3-methyl-4-(4-piperidinyloxy)-
CAS No: 796600-51-6 Catalog No: AG005INS MDL No:
Product Description
Catalog Number:
AG005INS
Chemical Name:
Benzonitrile, 2-chloro-3-methyl-4-(4-piperidinyloxy)-
CAS Number:
796600-51-6
Molecular Formula:
C13H15ClN2O
Molecular Weight:
250.7240
IUPAC Name:
2-chloro-3-methyl-4-piperidin-4-yloxybenzonitrile
InChI:
InChI=1S/C13H15ClN2O/c1-9-12(3-2-10(8-15)13(9)14)17-11-4-6-16-7-5-11/h2-3,11,16H,4-7H2,1H3
InChI Key:
LVMBENXORYMNJS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1Cl)C)OC1CCNCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.726g/mol
Monoisotopic Mass:
250.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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