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144167-50-0 | 1H-Benzimidazole-2-carboxylic acid, 6-bromo-, ethyl ester
CAS No: 144167-50-0 Catalog No: AG001J14 MDL No:MFCD10566650
Product Description
Catalog Number:
AG001J14
Chemical Name:
1H-Benzimidazole-2-carboxylic acid, 6-bromo-, ethyl ester
CAS Number:
144167-50-0
Molecular Formula:
C10H9BrN2O2
Molecular Weight:
269.0947
MDL Number:
MFCD10566650
IUPAC Name:
ethyl 6-bromo-1H-benzimidazole-2-carboxylate
InChI:
InChI=1S/C10H9BrN2O2/c1-2-15-10(14)9-12-7-4-3-6(11)5-8(7)13-9/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
RATPYWQBBAFDQN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c([nH]1)cc(cc2)Br
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.098g/mol
Monoisotopic Mass:
267.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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