Home Nitriles 3-(morpholin-2-yl)benzonitrile hydrochloride

3-(morpholin-2-yl)benzonitrile hydrochloride

CAS No.:
1423033-37-7
Catalog Number:
AG01A390
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
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Product Description
Catalog Number:
AG01A390
Chemical Name:
3-(morpholin-2-yl)benzonitrile hydrochloride
CAS Number:
1423033-37-7
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
MDL Number:
MFCD22628545
IUPAC Name:
3-morpholin-2-ylbenzonitrile;hydrochloride
InChI:
InChI=1S/C11H12N2O.ClH/c12-7-9-2-1-3-10(6-9)11-8-13-4-5-14-11;/h1-3,6,11,13H,4-5,8H2;1H
InChI Key:
XDNTWVKXMLAEBD-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1CNCCO1.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties