Home Other Building Blocks 3-(1H-imidazol-1-yl)cyclohexan-1-one hydrochloride

3-(1H-imidazol-1-yl)cyclohexan-1-one hydrochloride

CAS No.:
1803605-49-3
Catalog Number:
AG01BH92
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
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Product Description
Catalog Number:
AG01BH92
Chemical Name:
3-(1H-imidazol-1-yl)cyclohexan-1-one hydrochloride
CAS Number:
1803605-49-3
Molecular Formula:
C9H13ClN2O
Molecular Weight:
200.6653
MDL Number:
MFCD28139552
IUPAC Name:
3-imidazol-1-ylcyclohexan-1-one;hydrochloride
InChI:
InChI=1S/C9H12N2O.ClH/c12-9-3-1-2-8(6-9)11-5-4-10-7-11;/h4-5,7-8H,1-3,6H2;1H
InChI Key:
XPLFSQLRXPDJFU-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)n1cncc1.Cl
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.666g/mol
Monoisotopic Mass:
200.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties