Home Halogens 3-(chloromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole hydrochloride

3-(chloromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole hydrochloride

CAS No.:
2138021-00-6
Catalog Number:
AG01ELSE
Molecular Formula:
C7H10Cl2N2O
Molecular Weight:
209.0731
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Product Description
Catalog Number:
AG01ELSE
Chemical Name:
3-(chloromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazole hydrochloride
CAS Number:
2138021-00-6
Molecular Formula:
C7H10Cl2N2O
Molecular Weight:
209.0731
IUPAC Name:
3-(chloromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole;hydrochloride
InChI:
InChI=1S/C7H9ClN2O.ClH/c8-3-7-5-4-11-2-1-6(5)9-10-7;/h1-4H2,(H,9,10);1H
InChI Key:
HJCCEOXETWJWQS-UHFFFAOYSA-N
SMILES:
ClCc1n[nH]c2c1COCC2.Cl
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.017g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.07g/mol
Monoisotopic Mass:
208.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties