Home Halogens methyl 4-chlorophthalazine-1-carboxylate

methyl 4-chlorophthalazine-1-carboxylate

CAS No.:
2092174-96-2
Catalog Number:
AG01DW77
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
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Product Description
Catalog Number:
AG01DW77
Chemical Name:
methyl 4-chlorophthalazine-1-carboxylate
CAS Number:
2092174-96-2
Molecular Formula:
C10H7ClN2O2
Molecular Weight:
222.6278
MDL Number:
MFCD31616674
IUPAC Name:
methyl 4-chlorophthalazine-1-carboxylate
InChI:
InChI=1S/C10H7ClN2O2/c1-15-10(14)8-6-4-2-3-5-7(6)9(11)13-12-8/h2-5H,1H3
InChI Key:
YTKMPBYDQBIBAA-UHFFFAOYSA-N
SMILES:
COC(=O)c1nnc(c2c1cccc2)Cl
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.02g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.628g/mol
Monoisotopic Mass:
222.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties