Home Halogens 5-chloro-2-(piperidin-4-yl)-1,3-benzoxazole

5-chloro-2-(piperidin-4-yl)-1,3-benzoxazole

CAS No.:
199292-93-8
Catalog Number:
AG019UZE
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
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Product Description
Catalog Number:
AG019UZE
Chemical Name:
5-chloro-2-(piperidin-4-yl)-1,3-benzoxazole
CAS Number:
199292-93-8
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
MDL Number:
MFCD10690319
IUPAC Name:
5-chloro-2-piperidin-4-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H13ClN2O/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2
InChI Key:
CTXQQZDBUIIQFM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(o2)C1CCNCC1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties