Home Halogens Ethyl 2-chloro-1H-benzo[d]imidazole-6-carboxylate

Ethyl 2-chloro-1H-benzo[d]imidazole-6-carboxylate

CAS No.:
857035-29-1
Catalog Number:
AG004T4D
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
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Product Description
Catalog Number:
AG004T4D
Chemical Name:
Ethyl 2-chloro-1H-benzo[d]imidazole-6-carboxylate
CAS Number:
857035-29-1
Molecular Formula:
C10H9ClN2O2
Molecular Weight:
224.6437
MDL Number:
MFCD11044632
IUPAC Name:
ethyl 2-chloro-3H-benzimidazole-5-carboxylate
InChI:
InChI=1S/C10H9ClN2O2/c1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
LVIQNMQUZOMYAX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc2c(c1)[nH]c(n2)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:
224.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.644g/mol
Monoisotopic Mass:
224.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties