Home Other Building Blocks 4-oxa-1,10-diazatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride

4-oxa-1,10-diazatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride

CAS No.:
1427380-63-9
Catalog Number:
AG01A49Z
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
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Product Description
Catalog Number:
AG01A49Z
Chemical Name:
4-oxa-1,10-diazatricyclo[7.3.1.0,5,13]trideca-5,7,9(13)-triene hydrochloride
CAS Number:
1427380-63-9
Molecular Formula:
C10H13ClN2O
Molecular Weight:
212.6760
MDL Number:
MFCD23144298
IUPAC Name:
4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrochloride
InChI:
InChI=1S/C10H12N2O.ClH/c1-2-8-10-9(3-1)13-7-6-12(10)5-4-11-8;/h1-3,11H,4-7H2;1H
InChI Key:
LJVVJKCJZQUNIN-UHFFFAOYSA-N
SMILES:
C1CN2CCOc3c2c(N1)ccc3.Cl
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.072g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.677g/mol
Monoisotopic Mass:
212.072g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties