Home Halogens methyl 6-chloro-1-methyl-1H-1,3-benzodiazole-2-carboxylate

methyl 6-chloro-1-methyl-1H-1,3-benzodiazole-2-carboxylate

CAS No.:
1565595-24-5
Catalog Number:
AG01BGH6
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
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Product Description
Catalog Number:
AG01BGH6
Chemical Name:
methyl 6-chloro-1-methyl-1H-1,3-benzodiazole-2-carboxylate
CAS Number:
1565595-24-5
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD26058458
IUPAC Name:
methyl 6-chloro-1-methylbenzimidazole-2-carboxylate
InChI:
InChI=1S/C10H9ClN2O2/c1-13-8-5-6(11)3-4-7(8)12-9(13)10(14)15-2/h3-5H,1-2H3
InChI Key:
IMBXNGMHEHVMAH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(n1C)cc(cc2)Cl
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties